| Phytochemical Name : Gentisin |
| PCNDIDG0057 |
| Pubchem CID : 5281636 |
| Molecular formula: C14H10O5 |
| Canonical SMILES : COC1=CC(=C2C(=C1)OC3=C(C2=O)C=C(C=C3)O)O |
Synonymes : Gentisin|437-50-3|Gentianin|Gentisine|1,7-dihydroxy-3-methoxy-9H-xanthen-9-one|GENTIANIC ACID|1,7-Dihydroxy-3-methoxyxanthen-9-one|1,7-Dihydroxy-3-methoxyxanthone|4,7-Dihydroxy-2-methoxyxanthone|9H-Xanthen-9-one, 1,7-dihydroxy-3-methoxy-|CCRIS 3151|Gentiin|UNII-K57MOP2HM0|EINECS 207-114-1|K57MOP2HM0|BRN 0384788|CHEBI:5324|Xanthen-9-one, 1,7-dihydroxy-3-methoxy-|DTXSID20195907|1,7-dihydroxy-3-methoxy-xanthen-9-one|Gentianin?|GENTISIN [MI]|SCHEMBL996402|1,7-dihydroxy-3-methoxyanthone|CHEMBL3093478|DTXCID20118398|BCP17139|HY-N4279|MFCD00075947|AKOS024258078|MS-23634|LS-162465|CS-0032629|FT-0757753|A1-01883|Q27106720|1,7-Dihydroxy-3-methoxyxanthone; 1,7-Dihydroxy-3-methoxyxanthen-9-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.270 |
| Log Po/w (XLOGP3) : 2.770 |
| Log Po/w (WLOGP) : 2.370 |
| Log Po/w (MLOGP) : 0.570 |
| Log Po/w (SILICOS-IT) : 2.480 |
| Consensus Log Po/w : 2.090 |