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CandActCFTR used public reference

The following publication reference has been reported to contain CFTR related structural information.
"D Zhang" "GW Carlile" "H Balghi" "J Liao" "A Luini" "JW Hanrahan" "SM Anjos" "A Carissimo" "F Ciciriello" "R Robert" "DY Thomas"


Below you will find all the structures identified in the publication. Be warned that this does not imply any activity. n=4
ID: 1313
InChIKey: LTMHDMANZUZIPE-PUGKRICDSA-N
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 1313



CID is 2724385
synonyms found at PubChem are:
digoxin, 20830-75-5, 12beta-Hydroxydigitoxin, Digoxine, Lanoxin, Lanoxicaps, Digosin, Digossina, Digoxina, Digoxinum, Lanoxicaps (TN), [3H]digoxin, Digacin, Dilanacin, Lanicor, Lanoxin (TN), [3H]-digoxin, CHEBI:4551, MLS000069819, Cardiogoxin, Lanacordin, Davoxin, Dynamos, Eudigox, Lanacrist, Lenoxin, Mapluxin, Rougoxin, SMR000059217, Vanoxin, Neo-Lanicor, Digoxin Nativelle, Digoxin Pediatric, Lanoxin PG, SK-Digoxin, UNII-73K4184T59, Homolle's digitalin, Hemigoxine Nativelle, NCGC00090797-03, 73K4184T59, DSSTox_CID_2934, Digoxin, analytical standard, DSSTox_RID_76794, Coragoxine, DSSTox_GSID_22934, Lenoxicaps, Neodioxanin, Acygoxin, Cardigox, Cardioxin, Cogoxin, Cordioxil, Digomal, Digonix, Dimecip, Fargoxin, Lanikor, Lanorale, Lifusin, Longdigox, Natigoxin, Purgoxin, Saroxin, Stillacor, (3beta,5beta,12beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-12,14-dihydroxycard-20(22)-enolide, Dixina, Grexin, Digon, Digos, Dokim, Digoxina-Sandoz, Digoxin-Sandoz, Digoxin-Zori, Digitalis glycoside, Digitek, Digoxine Navtivelle, Novodigal [inj.], Digoksyna [Polish], Digossina [DCIT], NSC 95100, Chloroformic digitalin, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, LANOXIN PEDIATRIC, SMR000653537, Digoxinum [INN-Latin], Digoxina [INN-Spanish], HSDB 214, Digazolan, Digoksyna, Lanadicor, Digoxigenin-tridigitoxosid [German], EINECS 244-068-1, C41H64O14, BRN 0077011, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-12,14-dihydr, 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-, oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Prestwick_170, Digitek (TN), CAS-20830-75-5, 3b0w, 12bet.-Hydroxydigitoxin, AC1MC4TN, Digoxigenin-tridigitoxosid, Opera_ID_1134, Prestwick0_000437, Prestwick1_000437, Prestwick2_000437, Prestwick3_000437, Digoxin (JP15/USP), Digoxin (JP17/USP), D02OZE, D09YRM, Epitope ID:122964, AC1Q29PT, CHEMBL1751, BIDD:PXR0148, SCHEMBL20506, BSPBio_000454, MLS001055371, MLS001076495, SPBio_002393, BPBio1_000500, GTPL4725, GTPL4726, Digoxin [USP:INN:BAN:JAN], Digoxin 1.0 mg/ml in Methanol, DTXSID5022934, BDBM46355, cid_2724385, LTMHDMANZUZIPE-PUGKRICDSA-N, MolPort-002-536-760, REGID_for_CID_2724385, ZX-AFC001295, HMS1569G16, HMS2096G16, HMS2232G20, HMS3713G16, (3beta,5beta,12beta)-3-((O-2,6-Dideoxy-beta-D-ribo-hexapyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxycard-20(22)-enolide, 3beta-((O-2,6-Dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12beta,14-dihydroxy-5beta-card-20(22)-enolide, HY-B1049, Tox21_111025, Tox21_201678, Tox21_303050, MFCD00003674, s4290, AKOS015895113, AKOS024283494, ZINC242548690, CCG-220437, CS-4571, DB00390, MCULE-8165628529, NCGC00090797-01, NCGC00090797-02, NCGC00090797-04, NCGC00090797-05, NCGC00090797-06, NCGC00090797-07, NCGC00090797-09, NCGC00090797-15, NCGC00257022-01, NCGC00259227-01, AN-18552, AS-13281, CC-26802, H797, ST069334, B7684, D1828, OioC>>uNomicroO>>AE paragraph sign(3/4)UO, C06956, D00298, J10027, 5-18-04-00381 (Beilstein Handbook Reference), 830D755, A814956, C-23516, SR-01000721866, Digoxin, certified reference material, TraceCERT(R), J-013666, SR-01000721866-3, SR-01000721866-4, BRD-K23478508-001-03-7, Digoxin, European Pharmacopoeia (EP) Reference Standard, 0B9662A7-264E-4ACD-94B2-9E1138C0CA5A, Digoxin, United States Pharmacopeia (USP) Reference Standard, Digoxin, Pharmaceutical Secondary Standard; Certified Reference Material, 3beta,12beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid-3-tridigitoxosid, Digoxin for peak identification, European Pharmacopoeia (EP) Reference Standard, Digoxin solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material, 11000-95-6, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-12,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3-[[(2R,4S,5S,6R)-5-[[(2S,4S,5S,6R)-5-[[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-4-hydroxy-6-methyl-2-oxanyl]oxy]-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,, 36-35-1, 39366-41-1, 4-((1S,2S,5S,11S,15S,7R,10R,14R,16R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-me thyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)](4S,5S,2R,, 4-((1S,2S,5S,11S,15S,7R,10R,14R,16R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-me thyl(2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3 ,4,5,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-te trahydropyran-2-yl, 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one, 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}, 4-[(1S,2S,5S,7R,10R,11S,14R,15S,16R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^, 4-[(3S,5R,8R,9S,10S,12R,13S,14S)-3-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4S,5R,6R)-4,5-dihydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-12,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 6R)-4-hydroxy-6-methyl(2H-3,4,5,6-te trahydropyran-2-yloxy)}-11,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0 <11,15>]heptadec-14-yl)-5-hydrofuran-2-one, 8001-36-3, 8001-37-4, 8001-52-3, 82476-60-6, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-12,14-dihydroxy-, (3beta,5beta,12beta)-, Card-20(22)-enolide, 3-[[O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-->4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-->4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl]oxy]-12,14-dihydroxy-, (3.beta.,5.beta.,12.beta.)-
ID: 3040
InChIKey: WDJUZGPOPHTGOT-XUDUSOBPSA-N
SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 3040



CID is 441207
synonyms found at PubChem are:
digitoxin, Digitoxoside, 71-63-6, Unidigin, Digitoxinum, Coramedan, Crystodigin (TN), Digipural, Asthenthilo, Digitossina, Digitoxosidum, Carditalin, Digitoksim, Digitoxina, Digitoxine, Monodigitoxoside, Mono-digitoxid, Mono-glycocard, Cardidigin, Carditoxin, Crystodigin, Digitoksin, Cardigin, Digitophyllin, Digitossina [DCIT], Acedoxin, Cristapurat, Digimerck, Digisidin, Myodigin, Purpurid, Tardigal, Digicor, Digitalin, crystalline, Digitaline, Mono-digitoxid [German], Digitoxine [INN-French], Digitoxinum [INN-Latin], Tri-digitoxoside [German], Digitoxina [INN-Spanish], Digitoxigenin-tridigitoxosid, UNII-E90NZP2L9U, Digitaline nativelle, Digilong, Digimed, Digitrin, Ditaven, Glucodigin, Lanatoxin, Natigal, Purodigin, Tri-digitoxoside, Digitalinum verum, De-Tone, Crystalline digitalin, Digitoxigenin tridigitoxoside, Digitoxigenin-tridigitoxosid [German], Digitaline cristallisee, Purodigin, crystalline, E90NZP2L9U, MLS000069787, CHEBI:28544, Caswell No. 349, SMR000058529, DSSTox_CID_2933, Digitoxin [INN:BAN:JAN], DSSTox_RID_76793, Crystalline, DSSTox_GSID_22933, CCRIS 7116, HSDB 215, Cardiolanata, Lanostabil, Digilanid, Pandigal, Panlanat, NSC 7529, EINECS 200-760-5, C41H64O13, EPA Pesticide Chemical Code 097002, BRN 0076678, CAS-71-63-6, 1339-93-1, 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide, inhibits Na+/K+ ATPase, NSC7529, tradigal, Digitoxin [USP:INN:BAN:JAN], Digitaline (TN), NCGC00159428-02, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, AC1L9AQX, D0M3QP, SCHEMBL20940, Digitoxin (JP15/USP/INN), Digitoxin (JP17/USP/INN), CHEMBL254219, cid_441207, GTPL6782, MEGxp0_001901, DTXSID0022933, REGID_for_CID_441207, ACon0_000319, ACon1_000610, BDBM46356, 5.beta.-Card-20(22)-enolide, 3.beta.,14-dihydroxy-, 3-[tris-(digitoxoside)], MolPort-001-742-606, WDJUZGPOPHTGOT-XUDUSOBPSA-N, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy, (3beta,5beta)-, HY-B1357, Tox21_111659, Tox21_302269, LMST01120018, MFCD00003686, ZINC95862733, AKOS015915863, Digitoxin, >=92% (HPLC), powder, Tox21_111659_1, CCG-208538, CS-5502, DB01396, MCULE-8291336831, MCULE-9783596421, SMP1_000096, NCGC00142623-02, NCGC00142623-03, NCGC00142623-04, NCGC00142623-05, NCGC00255265-01, SC-43721, ST072187, SBI-0051348.P003, D0542, LT00244784, Y0070, 6467-EP1441224A2, 6467-EP2270011A1, C06955, D00297, 16732-EP2280955A2, 16732-EP2280980A1, 16732-EP2292612A2, 16732-EP2300441A1, 16732-EP2301938A1, 16732-EP2303866A2, 16732-EP2307386A1, 16732-EP2315764A2, 16732-EP2376427A1, 16732-EP2376433A1, 071D636, Q-100791, SR-01000721879-2, BRD-K63668566-001-01-7, I14-53595, A572A148-EC30-47D2-A32A-C9D8A93F8EFC, Z1558290128, Digitoxin, European Pharmacopoeia (EP) Reference Standard, Digitoxin, United States Pharmacopeia (USP) Reference Standard, UNII-3899510F8M component WDJUZGPOPHTGOT-XUDUSOBPSA-N, (3beta,5beta)-3-{[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide, 1367-39-1, 1391-34-0, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13, 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide, 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-, 4-((1S,2S,5S,11S,7R,10R,14R,15R)-5-{5-[5-((2S,4S,5S,6R)-4,5-dihydroxy-6-methyl (2H-3,4,5,6-tetrahydropyran-2-yloxy))(4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5 ,6-tetrahydropyran-2-yloxy)](4S,5S,2R,6R)-4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy), 4-((3S,5R,8R,9S,10S,13R,14S,17R)-3-(((2R,4S,5S,6R)-5-(((2S,4S,5S,6R)-5-(((2S,4S,5S,6R)-4,5-dihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-14-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 4-[(1S,2S,5S,7R,10R,11S,14R,15R)-5-{[(2R,4S,5S,6R)-5-{[(2S,4S,5S,6R)-5-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-4-hydroxy-6-methyloxan-2-yl]oxy}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one, 4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,4S,5S,6R)-5-[(2S,4S,5S,6R)-5-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 4-hydroxy-6-methyl(2H-3,4,5,6-tetrah ydropyran-2-yloxy)}-11-hydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]h eptadec-14-yl)-5-hydrofuran-2-one, 5beta,20(22)-Cardenolide-3beta,14-diol-3-(O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-[1-->4]-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy, 82476-56-0, Card-20(22)-enolide, 3-((O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-.beta.-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-, Card-20(22)-enolide, 3-((O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-O-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1.fwdarw.4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3beta,5beta)-
ID: 2963
InChIKey: LPMXVESGRSUGHW-HBYQJFLCSA-N
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2963



CID is 439501
synonyms found at PubChem are:
ouabain, G-Strophanthin, Ouabaine, Astrobain, Gratibain, Purostrophan, Strodival, Oubain, Ouabagenin L-rhamnoside, Ouabain anhydrous, Kombetin, Uabanin, Ouabagenin-L-rhamnosid, 630-60-4, Acocantherin, Ouabain octahydrate, Acocantherine, Quabain, Strophanthin-G, Strophalen, Uabaina, Gratus strophanthin, Ouabain, Octahydrate, Rectobaina, Solufantina, Strophoperm, Strophosan, G-Strophicor, UNII-5ACL011P69, Ouabagenin-L-rhamnosid [German], CHEBI:472805, G-Strophanthin (JAN), Strophanthin G, MLS000069786, CHEMBL222863, LPMXVESGRSUGHW-HBYQJFLCSA-N, 5ACL011P69, Acolongifloroside K, SMR000058492, O 3125, DSSTox_CID_23765, DSSTox_RID_80072, DSSTox_GSID_43765, 3-(alpha-L-rhamnopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide, Card-20(22)-enolide, 3-[(6-deoxy-.alpha.-L-mannopyranosyl)oxy]-1,5,11,14,19-pentahydroxy-, (1.beta.,3.beta.,5.beta.,11.alpha.)-, CCRIS 965, OBN, HSDB 3519, EINECS 211-139-3, Ouabain (anhydrous), NSC 25485, NSC-25485, BRN 0101712, CAS-630-60-4, SR-01000076047, Card-20(22)-enolide, 3-((6-deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11,14,19-pentahydroxy-, (1beta,3beta,5beta,11alpha)-, Cardiac glycoside, 1ibg, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-1,5,11alpha,14,19-pentahydroxycard-20(22)-enolide, 3-(6-Deoxy-alpha-L-mannopyranosyloxy)-1,5,11a,14,19-pentahydroxycard-20(22)-enolide, NCGC00163473-01, 3a3y, Opera_ID_395, 4-[5-((6S,2R,3R,4R,5R)-3,4,5-trihydroxy-6-methyl(2H-3,4,5,6-tetrahydropyran-2- yloxy))(1S,5S,7S,11S,2R,3R,10R,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxym ethyl)-15-methyltetracyclo[8.7.0.0<2,7>.0<, Prestwick0_000471, Prestwick1_000471, Prestwick2_000471, Prestwick3_000471, D0AR3J, Epitope ID:161502, Lopac0_000943, SCHEMBL15433, BSPBio_000602, 5-18-05-00625 (Beilstein Handbook Reference), SPBio_002541, AC1L97H2, BPBio1_000664, cid_439501, GTPL4826, DTXSID0043765, REGID_for_CID_439501, 3n23, HMS2089J19, HMS2235A07, HMS3262N08, ZINC8143614, Tox21_110024, Tox21_112057, Tox21_301547, Tox21_500943, BDBM50286739, AKOS024285581, Tox21_112057_1, CCG-205024, CCG-208243, DB01092, LP00943, SMP1_000142, NCGC00013319-01, NCGC00017394-02, NCGC00017394-07, NCGC00017394-11, NCGC00255970-01, NCGC00261628-01, NCGC00263656-01, ST085767, TL8004371, EU-0100943, C01443, D00112, 11,15>]heptadec-14-yl]-5-hydrofuran- 2-one, SR-01000721848, SR-01000076047-1, SR-01000076047-5, SR-01000721848-2, SR-01000721848-4, BRD-K35708212-331-03-1, I14-91595, dro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-(6-deoxy-alpha-L-mannopyranosyloxy)-1beta,5beta,11alpha,14,19-pentahydroxy-5beta-card-20(22)-enolide, 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahy, 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one, 3-[(6-Deoxy-.alpha.-L-mannopyranosyl)oxy]-1,5,11.alpha.,14,19-pentahydroxycard-20(22)-enolide, 36-06-6, 4-((1R,3S,5S,8R,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 4-((1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-(((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 4-((1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yloxy)-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 4-((1R,3S,5S,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)furan-2(5H)-one, 4-[(1R,3S,5S,10R,11R,13R,14S,17R)-1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0;{2,7}.0;{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one, 4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,7,11,17-tetrahydroxy-2-(hydroxymethyl)-15-methyl-5-{[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2,5-dihydrofuran-2-one, 4-[(R)-1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one, 4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one(Ouabain), Ouabain4-[1,5,11,14-Tetrahydroxy-10-hydroxymethyl-13-methyl-3-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
ID: 2889
InChIKey: BXSABLKMKAINIU-QOHCMMFCSA-N
SMILES: C[C@]12C[C@H]([C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3([C@@H](C[C@@H](C5)O)O)CO)O)O

biological descriptors:

CFTR relevance: CFTR corrector

Category:
Influence on CFTR function enhances CFTR function
Order of interaction unknown
subcellular compartment unknown

chemical graph of compound 2889



CID is 12313812
synonyms found at PubChem are:
Ouabagenin, g-Strophanthidin, 508-52-1, UNII-R2692W2T67, Ouabain genin, CHEBI:71016, R2692W2T67, 1beta,3beta,5,11alpha,14,19-Hexahydroxy-5beta-card-20(22)-enolide, NSC 97088, BRN 0060306, 1-beta,3-beta,5,11-alpha,14,19-Hexahydroxy-5-beta-card-20(22)-enolide, Ouabagenin, >=95%, 4-18-00-03554 (Beilstein Handbook Reference), SCHEMBL643840, CHEMBL2068926, 5-beta-Card-20(22)-enolide, 1-beta,3-beta,5,11-alpha,14,19-hexahydroxy-, ZINC13475048, 1|A,3|A,5,11|A,14,19-Hexahydroxy-5|A-card-20(22)-enolide, 1 beta,3beta,5alpha,11alpha,14,19-Hexa-hydroxy-5 beta,20[22]-cardenolide, 5beta-Card-20(22)-enolide, 1beta,3beta,5,11alpha,14,19-hexahydroxy- (8CI), 4-[(1S,2R,3R,5S,7S,10R,11S,14R,15R,17R)-3,5,7,11,17-pentahydroxy-2-(hydroxymethyl)-15-methyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]-5H-furan-2-one, Card-20(22)-enolide, 1,3,5,11,14,19-hexahydroxy-, (1-beta,3-beta,5-beta,11-alpha)- (9CI)