| Phytochemical Name : Gallocatechin |
| PCNDIDG0009 |
| Pubchem CID : 65084 |
| Molecular formula: C15H14O7 |
| Canonical SMILES : C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O |
Synonymes : (+)-Gallocatechin|Gallocatechin|970-73-0|Gallocatechol|(+)-gallocatechol|d-Gallocatechin|1617-55-6|dl-Gallocatechin|(2R,3S)-gallocatechin|UNII-HEJ6575V1X|(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|HEJ6575V1X|(+-)-Gallocatechin|(+-)-Gallocatechol|CHEBI:31018|Gallocatechol, (+-)-|NSC 674038|NSC-674038|CHEMBL125743|(2R,3S)-(+)-gallocatechin|CHEBI:68330|(2R,3S)-flavan-3,3',4',5,5',7-hexol|(2R,3S)-flavan-3,5,7,3',4',5'-hexol|2H-1-Benzopyran-3,5,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-trans)-|(2R,3S)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol|(2R*,3S*)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|(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,3S)-|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)-,(2R,3S)-|rel-(2R,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|Casuarin|NSC674038|MEGxp0_000240|SCHEMBL3872234|ACon1_000994|HY-N0521A|DTXSID10914220|BDBM50135165|LMPK12020002|AKOS022180463|CCG-267530|NCGC00169777-01|AC-34513|AS-78230|NCI60_026203|XG171201|CS-0022247|S9048|E80664|(+)-trans-3,3',4',5,5',7-Hexahydroxyflavan|(2R,3S)-2-(3,4,5-Trihydroxyphenyl)chroman-3,5,7-triol|(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*)-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-1-benzopyran-3,5,7-triol|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-)|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 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 0.980 |
| Log Po/w (XLOGP3) : 0.000 |
| Log Po/w (WLOGP) : 0.930 |
| Log Po/w (MLOGP) : -0.290 |
| Log Po/w (SILICOS-IT) : 0.490 |
| Consensus Log Po/w : 0.420 |