| Phytochemical Name : Trichotomine |
| PCNDIDT0091 |
| Pubchem CID : 442120 |
| Molecular formula: C30H20N4O6 |
| Canonical SMILES : C1C(N2C(=CC(=C2O)C3=CC4=C5C(=C6C=CC=CC6=N5)CC(N4C3=O)C(=O)O)C7=C1C8=CC=CC=C8N7)C(=O)O |
Synonymes : Trichotomine|53472-14-3|52GDN97EHY|UNII-52GDN97EHY|C09247|(2E,5S)-2-((5S)-5-Carboxy-6,11-dihydro-3-oxo-3H-indolizino(8,7-b)indol-2(5H)-ylidene)-2,5,6,11-tetrahydro-3-oxo-3H-indolizino(8,7-b)indole-5-carboxylic acid|3H-Indolizino(8,7-b)indole-5-carboxylic acid, 2-((5S)-5-carboxy-6,11-dihydro-3-oxo-3H-indolizino(8,7-b)indol-2(5H)-ylidene)-2,5,6,11-tetrahydro-3-oxo-, (2E,5S)-|3H-Indolizino(8,7-b)indole-5-carboxylic acid, 2-(5-carboxy-6,11-dihydro-3-oxo-3H-indolizino(8,7-b)indol-2(5H)-ylidene)-2,5,6,11-tetrahydro-3-oxo-, (S-(R*,R*-(E)))-|(5S)-2-[(5S)-5-carboxy-3-hydroxy-6,11-dihydro-5H-indolizino[8,7-b]indol-2-yl]-3-oxo-5,6-dihydroindolizino[8,7-b]indole-5-carboxylic acid|AC1NQYFB|(2E,5S)-2-[(5S)-5-carboxy-3-oxo-6,11-dihydro-5H-indolizino[8,7-b]indol-2-ylidene]-3-oxo-6,11-dihydro-5H-indolizino[8,7-b]indole-5-carboxylic acid|CHEBI:9693|DTXSID00415115|EX-A6299|Q7841058 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.150 |
| Log Po/w (XLOGP3) : 2.300 |
| Log Po/w (WLOGP) : 1.540 |
| Log Po/w (MLOGP) : 1.170 |
| Log Po/w (SILICOS-IT) : 2.830 |
| Consensus Log Po/w : 2.000 |