| Phytochemical Name : Gentiatibetine |
| PCNDIDG0054 |
| Pubchem CID : 5317559 |
| Molecular formula: C9H11NO2 |
| Canonical SMILES : CC1=NC=CC2=C1C(OCC2)O |
Synonymes : Gentiatibetine|26005-36-7|Gentiotibetine|Alkaloid GT-A|8-methyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-1-ol|CHEBI:173740|DTXSID601225617|8-methyl-1H,3H,4H-pyrano[3,4-c]pyridin-1-ol|1H-Pyrano[3,4-c]pyridin-1-ol, 3,4-dihydro-8-methyl- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.600 |
| Log Po/w (XLOGP3) : 0.380 |
| Log Po/w (WLOGP) : 0.630 |
| Log Po/w (MLOGP) : 0.660 |
| Log Po/w (SILICOS-IT) : 1.770 |
| Consensus Log Po/w : 1.010 |