| Phytochemical Name : Pseudoallococaine |
| PCNDIDP0196 |
| Pubchem CID : 638023 |
| Molecular formula: C17H21NO4 |
| Canonical SMILES : CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC |
Synonymes : Pseudoallococaine|518-97-8|Allopseudococain|Allo-psi-cocaine|(R)-Allopseudococaine|(?)-Allopseudococaine|Allopseudococaine (6CI)|DTXSID40348534|(1R,5S,8-anti)-3alpha-Benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2alpha-carboxylic acid methyl ester|1alphaH,5alphaH-Tropane-2alpha-carboxylic acid, 3alpha-hydroxy-, methyl ester, benzoate (ester) (8CI)|8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)-|8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1R,2S,3R,5S)- (9CI)|8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1R-(endo,endo)]- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.210 |
| Log Po/w (XLOGP3) : 2.300 |
| Log Po/w (WLOGP) : 1.490 |
| Log Po/w (MLOGP) : 2.180 |
| Log Po/w (SILICOS-IT) : 1.610 |
| Consensus Log Po/w : 2.160 |