| Phytochemical Name : Eseramine |
| PCNDIDE0067 |
| Pubchem CID : 442077 |
| Molecular formula: C16H22N4O3 |
| Canonical SMILES : CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC)C)C(=O)NC |
Synonymes : Eseramine|6091-57-2|PE4VD738WT|UNII-PE4VD738WT|[(3aS,8bS)-4,8b-dimethyl-3-(methylcarbamoyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-methylcarbamate|Pyrrolo(2,3-b)indole-1(2H)-carboxamide, 3,3a,8,8a-tetrahydro-N,3a,8-trimethyl-5-(((methylamino)carbonyl)oxy)-, (3aS-cis)-|C09170|AC1L9C7N|SureCN2685980|ESERAMINE, (-)-|CHEBI:4854|SCHEMBL2685980|DTXSID10976383|Q27106508|(3AS,8AS)-3,3A,8,8A-TETRAHYDRO-N,3A,8-TRIMETHYL-5-(((METHYLAMINO)CARBONYL)OXY)PYRROLO(2,3-B)INDOLE-1(2H)-CARBOXAMIDE|(3aS-cis)-3,3a,8,8a-Tetrahydro-N,3a,8-trimethyl-5-[[(methylamino)carbonyl]oxy]-pyrrolo[2,3-b]indole-1(2H)-carboxamide|5-[Hydroxy(methylimino)methoxy]-N,3a,8-trimethyl-3,3a,8,8a-tetrahydropyrrolo[2,3-b]indole-1(2H)-carboximidic acid|PYRROLO(2,3-B)INDOLE-1(2H)-CARBOXAMIDE, 3,3A,8,8A-TETRAHYDRO-N,3A,8-TRIMETHYL-5-(((METHYLAMINO)CARBONYL)OXY)-, (3AS,8AS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.490 |
| Log Po/w (XLOGP3) : 0.870 |
| Log Po/w (WLOGP) : 0.720 |
| Log Po/w (MLOGP) : 1.410 |
| Log Po/w (SILICOS-IT) : 0.100 |
| Consensus Log Po/w : 1.120 |