| Phytochemical Name : Tetrahydroalstonine |
| PCNDIDT0033 |
| Pubchem CID : 72340 |
| Molecular formula: C21H24N2O3 |
| Canonical SMILES : CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45 |
Synonymes : Tetrahydroalstonine|6474-90-4|Alstonine, tetrahydro-|Alstonine, 3,4,5,6-tetrahydro-|EINECS 229-331-0|NSC 72115|BRN 0097270|CHEBI:9479|6U62R2Y5Y2|(-)-Tetrahydroalstonine|Alstonine, 3,4,5,6-tetrahydro-, (3alpha)-|UNII-6U62R2Y5Y2|4-27-00-07926 (Beilstein Handbook Reference)|NSC-72115|Methyl (19alpha,20alpha)-16,17-didehydro-19-methyloxayohimban-16-carboxylate|methyl (20alpha)-16,17-didehydro-19alpha-methyl-18-oxayohimban-16-carboxylate|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19-alpha,20-alpha)-|C21H24N2O3|methyl (19alpha,20alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate|4H-INDOLO(2,3-A)PYRANO(3,4-G)QUINOLIZINE-1-CARBOXYLIC ACID, 4A,5,7,8,13,13B,14,14A-OCTAHYDRO-4-METHYL-, METHYL ESTER, (4S,4AS,13BS,14AS)-|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19.alpha.,20.alpha.)-|SCHEMBL564502|CHEMBL498734|Alstonine, 3,4,5,6-tetrahydro|DTXSID201020629|HY-N1163|BDBM50407156|PDSP2_001642|AKOS037515397|ajmalicine, (19alpha,20alpha)-isomer|CCG-208423|(3alpha)-3,4,5,6-Tetrahydroalstonine|NCGC00163632-01|LS-99762|MS-25467|CS-0016454|(3.ALPHA.)-3,4,5,6-TETRAHYDROALSTONINE|Alstonine, 3,4,5,6-tetrahydro-, (3.alpha.)-|Q27108406|815B4D52-2710-4B1D-B671-7CCBD7EC8A81|16,17-Didehydro-19-methyloxayohimban-16-carboxylic acid, methyl ester|Oxayohimban-16-carboxylic acid, 16,17-didehydro-19-methyl-, methyl ester, (19alpha,20alpha)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.200 |
| Log Po/w (XLOGP3) : 2.750 |
| Log Po/w (WLOGP) : 2.470 |
| Log Po/w (MLOGP) : 2.130 |
| Log Po/w (SILICOS-IT) : 2.780 |
| Consensus Log Po/w : 2.670 |