| Phytochemical Name : Gentianine |
| PCNDIDG0053 |
| Pubchem CID : 354616 |
| Molecular formula: C10H9NO2 |
| Canonical SMILES : C=CC1=CN=CC2=C1CCOC2=O |
Synonymes : Gentianine|439-89-4|Gentiannine|5-ethenyl-3,4-dihydropyrano[3,4-c]pyridin-1-one|UNII-C2PD310UXB|C2PD310UXB|5-ethenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-one|NSC-606848|BRN 0137011|CHEBI:28981|4-27-00-02817 (Beilstein Handbook Reference)|NSC606848|4-(2-hydroxyethyl)-5-vinylnicotinic acid gamma-lactone|1H-Pyrano(3,4-c)pyridin-1-one, 5-ethenyl-3,4-dihydro-|1H-Pyrano[3,4-c]pyridin-1-one, 5-ethenyl-3,4-dihydro-|Nicotinic acid, 4-(2-hydroxyethyl)-5-vinyl-, gamma-lactone|5-ethenyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-one|1H-Pyrano(3,4-c)pyridin-1-one, 3,4-dihydro-5-vinyl-|5-Ethenyl-3,4-dihydro-1H-pyrano(3,4-c)pyridin-1-one|5-VINYL-3,4-DIHYDROPYRANO(3,4-C)PYRIDIN-1-ONE|Erythricine|Gencianina|GENTIANINE [MI]|C06525|SCHEMBL2216852|CHEMBL4753058|DTXSID00963141|HY-N6039|BBL036668|STL559047|AKOS005266580|VS-13618|CS-0032220|From Schultesia guianensis malme (Mata-Zombando)|Q-100479|Q27104004|4-(2-hydroxyethyl)-5-vinylnicotinic acid delta-lactone|NICOTINIC ACID, 4-(2-HYDROXYETHYL)-5-VINYL-, delta-LACTONE|NICOTINIC ACID, 4-(2-HYDROXYETHYL)-5-VINYL-, .DELTA.-LACTONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.650 |
| Log Po/w (XLOGP3) : 1.510 |
| Log Po/w (WLOGP) : 1.330 |
| Log Po/w (MLOGP) : 1.200 |
| Log Po/w (SILICOS-IT) : 2.670 |
| Consensus Log Po/w : 1.670 |