| Phytochemical Name : Catechin 7-O-gallate |
| PCNDIDC0075 |
| Pubchem CID : 471393 |
| Molecular formula: C22H18O10 |
| Canonical SMILES : C1C(C(OC2=CC(=CC(=C21)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)C4=CC(=C(C=C4)O)O)O |
Synonymes : Catechin 7-O-gallate|7-o-galloylcatechin|(+)-Catechin-7-gallate|(+)-Catechin-7-O-gallate|CHEMBL4218102|DTXSID501315750|LMPK12020096|[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chroman-7-yl] 3,4,5-trihydroxybenzoate|7-(Galloyloxy)-3,4-dihydro-2alpha-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3beta,5-diol|3,4,5-Trihydroxy-benzoic acid (2R,3S)-2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-1-benzopyran-7-yl ester|89702-01-2 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.990 |
| Log Po/w (XLOGP3) : 1.060 |
| Log Po/w (WLOGP) : 1.850 |
| Log Po/w (MLOGP) : 0.320 |
| Log Po/w (SILICOS-IT) : 1.040 |
| Consensus Log Po/w : 1.250 |