Compound: (+)-Gallocatechin
SMILES: O1c2c(c(O)cc(c2)O)C[C@@H]([C@H]1c3cc(O)c(O)c(c3)O)O
InChIKey: XMOCLSLCDHWDHP-SWLSCSKDSA-N
Synonyms: (+)-Gallocatechin, Gallocatechin, 970-73-0, Gallocatechol, (+)-gallocatechol, (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, HEJ6575V1X, (2R,3S)-gallocatechin, NSC-674038, CHEBI:31018, CHEBI:68330, DTXSID10914220, 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-, RefChem:5850, DTXCID201343215, 1617-55-6, d-Gallocatechin, (2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-,(2R,3S)-, CHEMBL125743, (2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, dl-Gallocatechin, (+-)-Gallocatechin, (+-)-Gallocatechol, Gallocatechol, (+-)-, gallocatechine, UNII-HEJ6575V1X, Casuarin, NSC674038, MFCD06798946, NSC 674038, (+/-)-gallocatechin, GlyTouCan:G43475FY, (2R,3S)-2-(3,4,5-Trihydroxyphenyl)chroman-3,5,7-triol, MEGxp0_000240, orb1303673, SCHEMBL3872234, (2R,3S)-(+)-gallocatechin, ACon1_000994, HY-N0521A, G43475FY, BDBM50135165, LMPK12020002, AKOS022180463, CCG-267530, EBC-466057, (2R,3S)-3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-, NCGC00169777-01, AC-34513, AS-78230, DA-73629, NCI60_026203, XG171201, CS-0022247, NS00094555, S9048, E80664, (2R,3S)-flavan-3,3',4',5,5',7-hexol, (2R,3S)-flavan-3,5,7,3',4',5'-hexol, (+)-trans-3,3',4',5,5',7-Hexahydroxyflavan, (2R,3S)-2-(3,4,5-Trihydroxy-phenyl)-chroman-3,5,7-triol, (2R,3S)-2-(3,4,5-Trihydroxy-phenyl)-1-benzopyran-3,5,7-triol, (2R*,3S*)- 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol, (2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R,3S)-rel-, 2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, trans-(+-)-, 2H-1-Benzopyran-3,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans-), rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol, 4-{1-Butyl-9-[1-(4,6-dimethyl-pyrimidine-5-carbonyl)-4-methyl-piperidin-4-yl]-2-oxo-3,0-diaza-spiro[5.5]undec-3-ylmethyl}-piperidine-1-carboxylic acid methyl ester
Theoretical properties:
molecular_formula: C15H14O7
molecular_weight: 306.27 g/mol
exact_mass: 306.07395278 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 6
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 1
heavy_atom_count: 22
topological_polar_surface_area: 131 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 189 - 191 °C
Descriptions:
pubchem: Gallocatechin is a catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii. It has a role as a metabolite. It is a catechin and a flavan-3,3',4',5,5',7-hexol.
chebi: A gallocatechin  that has (2<i>R</i>,3<i>S</i>)-configuration. It is found in green tea and bananas.
chembl: GALLOCATECHIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Gallocatechol or gallocatechin (GC) is a flavan-3-ol, a type of chemical compound including catechin, with the gallate residue being in an isomeric trans position.
This compound possesses two epimers. The most common, (+)-gallocatechin (GC), is found notably in green tea. The other enantiomer is called (−)-gallocatechin or ent-gallocatechin. It was first isolated from green tea by Michiyo Tsujimura in 1934.
Epigallocatechin is another type of catechin, with the gallate residue being in an isomeric cis position. It can be found in St John's wort.