| Phytochemical Name : Tussilagine |
| PCNDIDT0127 |
| Pubchem CID : 185071 |
| Molecular formula: C10H17NO3 |
| Canonical SMILES : CC1(CN2CCCC2C1C(=O)OC)O |
Synonymes : Tussilagine|80151-77-5|UNII-N9VOG4YJ1H|N9VOG4YJ1H|(-)-Isotussilagine|91108-33-7|TUSSILAGINE, (-)-|methyl (1S,2S,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate|C10411|1H-Pyrrolizine-1-carboxylic acid, hexahydro-2-hydroxy-2-methyl-, methyl ester, (1S-(1alpha,2alpha,7aalpha))-|1H-PYRROLIZINE-1-CARBOXYLIC ACID, HEXAHYDRO-2-HYDROXY-2-METHYL-, METHYL ESTER, (1S,2S,7AS)-|AC1L4G3Z|CTK5G8948|(-)-TUSSILAGINE|CHEBI:9782|DTXSID30919954|AKOS040734337|Q27108497|Methyl 2-hydroxy-2-methylhexahydro-1H-pyrrolizine-1-carboxylate|(-)-(1S,2S,8S)-1.ALPHA.-(METHOXYCARBONYL)-2.ALPHA.-HYDROXY-2.BETA.-METHYL-1,2,3,5,6,8-HEXAHYDRO-7H-PYRROLIZINE|(-)-(1S,2S,8S)-1alpha-(METHOXYCARBONYL)-2alpha-HYDROXY-2beta-METHYL-1,2,3,5,6,8-HEXAHYDRO-7H-PYRROLIZINE|1H-Pyrrolizine-1-carboxylic acid, hexahydro-2-hydroxy-2-methyl-, methyl ester, (1alpha,2beta,7aalpha))-(+-)-|1H-PYRROLIZINE-1-CARBOXYLIC ACID, HEXAHYDRO-2-HYDROXY-2-METHYL-, METHYL ESTER, (1S-(1.ALPHA.,2.ALPHA.,7A.ALPHA.))- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.080 |
| Log Po/w (XLOGP3) : 0.570 |
| Log Po/w (WLOGP) : -0.380 |
| Log Po/w (MLOGP) : 0.460 |
| Log Po/w (SILICOS-IT) : 0.400 |
| Consensus Log Po/w : 0.630 |

