| Phytochemical Name : Evodiamine |
| PCNDIDE0124 |
| Pubchem CID : 442088 |
| Molecular formula: C19H17N3O |
| Canonical SMILES : CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
Synonymes : Evodiamine|518-17-2|d-Evodiamine|(+)-Evodiamine|Evodiamine, (+)-|CHEBI:4948|UNII-C01825BVNL|C01825BVNL|CHEMBL463165|(S)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one|(S)-14-methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one|C19H17N3O|(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one|Evodiamine,(S)|(13bS)-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one|EVODIAMINE [MI]|EVODIAMINE [WHO-DD]|MLS006011787|SCHEMBL682158|DTXSID10966123|BCP02282|HY-N0114|Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (13bS)-|Indol(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-, (S)-|BBL033833|BDBM50560847|STK801981|AKOS005622478|CS-6161|SMR001934404|VS-12304|C09187|Q-100579|Q27894193|Evodiamine, European Pharmacopoeia (EP) Reference Standard|(1S)-21-METHYL-3,13,21-TRIAZAPENTACYCLO[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]HENICOSA-2(10),4,6,8,15,17,19-HEPTAEN-14-ONE|INDOLO(2',3':3,4)PYRIDO(2,1-B)QUINAZOLIN-5(7H)-ONE, 8,13,13B,14-TETRAHYDRO-14-METHYL-, (13BS)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.230 |
| Log Po/w (XLOGP3) : 3.100 |
| Log Po/w (WLOGP) : 2.230 |
| Log Po/w (MLOGP) : 3.160 |
| Log Po/w (SILICOS-IT) : 2.790 |
| Consensus Log Po/w : 2.700 |