| Phytochemical Name : Reserpiline |
| PCNDIDR0011 |
| Pubchem CID : 67228 |
| Molecular formula: C23H28N2O5 |
| Canonical SMILES : CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC |
Synonymes : Reserpiline|Elliptamine|Reserpilin|131-02-2|(-)-Reserpiline|EINECS 205-005-3|UNII-C0N6EP99UK|C0N6EP99UK|Methyl (3beta,19alpha,20alpha)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate|Methyl 16,17-didehydro-10,11-dimethoxy-19alpha-methyl-18-oxa-3beta,20alpha-yohimban-16-carboxylat|Reserpiline hydrochloride|methyl (4S,4aS,13bR,14aS)-10,11-dimethoxy-4-methyl-4a,5,7,8,13,13b,14,14a-octahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate|Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3-beta,19-alpha,20-alpha)-|RESERPILINE [MI]|RESERPILINE [WHO-DD]|SCHEMBL355882|DTXSID20927028|CHEBI:135667|Oxayohimban-16-carboxylic acid, 16,17-didehydro-10,11-dimethoxy-19-methyl-, methyl ester, (3.beta.,19.alpha.,20.alpha.)-|AKOS040753731|LS-99744|Q27275019|methyl 10,11-dimethoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate|(3-beta,19-alpha,20-alpha)-16,17-Didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylic acid methyl ester|4H-INDOLO(2,3-A)PYRANO(3,4-G)QUINOLIZINE-1-CARBOXYLIC ACID, 4A,5,7,8,13,13B,14,14A-OCTAHYDRO-10,11-DIMETHOXY-4-METHYL-, METHYL ESTER, (4S,4AS,13BR,14AS)-|methyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.690 |
| Log Po/w (XLOGP3) : 2.690 |
| Log Po/w (WLOGP) : 2.490 |
| Log Po/w (MLOGP) : 1.490 |
| Log Po/w (SILICOS-IT) : 2.900 |
| Consensus Log Po/w : 2.650 |