previous compound ID: 1176 next compound
InChIKey: KMJPKUVSXFVQGZ-WQLSNUALSA-N
SMILES: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C4=C(C(=O)C=C(C=C34)[C@@H]5[C@@H](CC6=C(C=C(C=C6O5)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)O)O

biological descriptors:

CFTR relevance: unspecified

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

reference list:

ReferenceID: 53
"GW Carlile" "JW Hanrahan" "B Kus" "R Robert" "SD Macknight" "J Goepp" "E Matthes" "J Liao" "D Rotin" "DY Thomas"

chemical graph of compound 1176





CID is 169167
synonyms found at PubChem are:
30462-34-1, THEAFLAVIN MONOGALLATES, Theaflavin monogallate A, [(2R,3R)-5,7-dihydroxy-2-[3,4,5-trihydroxy-6-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate, Spectrum_000318, SpecPlus_000279, AC1Q6AEI, Spectrum2_000162, Spectrum3_000252, Spectrum4_001542, Spectrum5_000104, BSPBio_001664, KBioGR_002004, KBioSS_000798, (2r,3r)-5,7-dihydroxy-2-{3,4,6-trihydroxy-5-oxo-1-[(2r,3r)-3,5,7-trihydroxy-3,4-dihydro-2h-chromen-2-yl]-5h-benzo[7]annulen-8-yl}-3,4-dihydro-2h-chromen-3-yl 3,4,5-trihydroxybenzoate, DivK1c_006375, SPBio_000023, Theaflavin -3-gallate(TF2A), AC1L539F, CHEMBL3039319, SCHEMBL13300897, SCHEMBL16909926, CTK4G5231, KBio1_001319, KBio2_000798, KBio2_003366, KBio2_005934, KBio3_001164, DTXSID90184540, MolPort-044-831-687, ZINC3978504, CCG-38375, AKOS027326812, SDCCGMLS-0066974.P001, NCGC00179102-01, SR-05000002777, SR-05000002777-1, 3,4,6-Trihydroxy-8-[[(2R)-3,4-dihydro-5,7-dihydroxy-3alpha-(3,4,5-trihydroxybenzoyloxy)-2H-1-benzopyran]-2alpha-yl]-1-[[(2R)-3,4-dihydro-3alpha,5,7-trihydroxy-2H-1-benzopyran]-2alpha-yl]-5H-benzocyclohepten-5-one, Benzoic acid, 3,4,5-trihydroxy-, 2-(1-(3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester, (2R-(2alpha(2R*,3R*),3alpha))-, Benzoic acid,3,4,5-trihydroxy-,(2R,3R)-2-[1-[(2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-3,4,6-trihydroxy-5-oxo-5H-benzocyclohepten-8-yl]-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-ylester, InChI=1/C36H28O16/c37-14-5-20(39)18-10-26(45)35(51-27(18)7-14)17-9-25(44)33(48)30-16(17)1-12(2-24(43)32(30)47)34-29(11-19-21(40)6-15(38)8-28(19)50-34)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/