| Phytochemical Name : Mitragynine |
| PCNDIDM0132 |
| Pubchem CID : 3034396 |
| Molecular formula: C23H30N2O4 |
| Canonical SMILES : CCC1CN2CCC3=C(C2CC1C(=COC)C(=O)OC)NC4=C3C(=CC=C4)OC |
Synonymes : MITRAGYNINE|4098-40-2|(-)-Mitragynine|MITRAGYNINE PICRATE|CHEBI:6956|Skf 12711|9-Methoxycorynantheidine|SK&F 12711|UNII-EP479K822J|CHEMBL299031|HSDB 7901|EP479K822J|(E)-Methyl 2-((2S,3S,12bS)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)-3-methoxyacrylate|Mitragynin|Mitragynine [MI]|Mitragynine - 95%|MITRAGYNINE [WHO-DD]|SCHEMBL875799|SCHEMBL875800|DTXSID701032140|6202-22-8|BDBM50474152|16,17-Didehydro-9,17-dimethoxy-17,18-seco-20-alpha-yohimban-16-carboxylic acid methyl ester|BM164595|C09226|Q414299|(16E,20-beta)-16,17-didehydro-9,17-dimethoxycorynan-16-carboxylic acid methyl ester|(.ALPHA.E,2S,3S,12.BETA.S)-3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID METHYL ESTER|Corynan-16-carboxylic acid, 16,17-didehydro-9,17-dimethoxy-, methyl ester, (16E,20.beta.)-|INDOLO(2,3-A)QUINOLIZINE-2-ACETIC ACID, 3-ETHYL-1,2,3,4,6,7,12,12B-OCTAHYDRO-8-METHOXY-.ALPHA.-(METHOXYMETHYLENE)-, METHYL ESTER, (.ALPHA.E,2S,3S,12BS)-|methyl (2E)-2-[(2S,4S,5S)-5-ethyl-12-methoxy-7,17-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraen-4-yl]-3-methoxyprop-2-enoate|methyl(e)-2-[(2s,3s,12bs)-3-ethyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.780 |
| Log Po/w (XLOGP3) : 3.410 |
| Log Po/w (WLOGP) : 3.120 |
| Log Po/w (MLOGP) : 2.020 |
| Log Po/w (SILICOS-IT) : 3.720 |
| Consensus Log Po/w : 3.210 |