| Phytochemical Name : Gentianidine |
| PCNDIDG0052 |
| Pubchem CID : 362908 |
| Molecular formula: C9H9NO2 |
| Canonical SMILES : CC1=CC2=C(C=N1)C(=O)OCC2 |
Synonymes : Gentianidine|2202-12-2|35G857GZ2P|UNII-35G857GZ2P|6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one|NSC627383|NSC-627383|6-Methyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one|6-Methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one|1H-Pyrano(3,4-c)pyridin-1-one, 3,4-dihydro-6-methyl-|DTXSID90176485|SCHEMBL4075386|CHEMBL2007415|DTXCID0098976|3-methyl-8-oxa-4-azabicyclo[4.4.0]deca-2,4,11-trien-7-one|AKOS006327911|NCI60_008704|FT-0730301|6-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-one|Q27256464|NICOTINIC ACID, 4-(2-HYDROXYETHYL)-6-METHYL-, delta-LACTONE|NICOTINIC ACID, 4-(2-HYDROXYETHYL)-6-METHYL-, .DELTA.-LACTONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.670 |
| Log Po/w (XLOGP3) : 1.140 |
| Log Po/w (WLOGP) : 1.100 |
| Log Po/w (MLOGP) : 0.980 |
| Log Po/w (SILICOS-IT) : 2.360 |
| Consensus Log Po/w : 1.450 |