| Phytochemical Name : Gentisein |
| PCNDIDG0056 |
| Pubchem CID : 5281635 |
| Molecular formula: C13H8O5 |
| Canonical SMILES : C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O |
Synonymes : Gentisein|529-49-7|1,3,7-Trihydroxyxanthone|1,3,7-trihydroxy-9H-xanthen-9-one|XANTHONE DERIV|1,3,7-trihydroxyxanthen-9-one|Gentisein(NSC 329491)|Xanthen-9-one, 1,3,7-trihydroxy-|NSC 329491|CCRIS 4008|9H-Xanthen-9-one, 1,3,7-trihydroxy-|BRN 0384687|CHEBI:5323|CHEMBL361025|0P3G42TQ63|1,3,7-Trihydroxy-xanthen-9-one|NSC-329491|9H-Xanthen-9-one,1,3,7-trihydroxy-|1,3,7-trihydroxy-xanthone|Gentisein(NSC329491)|UNII-0P3G42TQ63|SCHEMBL2315926|DTXSID20200944|BDBM50155446|MFCD00210571|NSC329491|AKOS022662257|MS-23450|HY-118166|LS-162507|1,3,7-Trihydroxy-9H-xanthen-9-one, 9CI|CS-0065353|Y11006|Q27106719 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.650 |
| Log Po/w (XLOGP3) : 2.450 |
| Log Po/w (WLOGP) : 2.060 |
| Log Po/w (MLOGP) : 0.300 |
| Log Po/w (SILICOS-IT) : 1.980 |
| Consensus Log Po/w : 1.690 |