| Phytochemical Name : Isoevodiamine |
| PCNDIDI0066 |
| Pubchem CID : 151289 |
| Molecular formula: C19H17N3O |
| Canonical SMILES : CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3 |
Synonymes : Isoevodiamine|(+/-)-Evodiamine|518-18-3|5956-87-6|CHEMBL81925|MFCD06407824|( inverted exclamation markA)-Evodiamine|14-Methyl-7,8,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(13H)-one|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|C19H17N3O|Indolo(2',3':3,4)pyrido(2,1-b)quinazolin-5(7H)-one, 8,13,13b,14-tetrahydro-14-methyl-|evodiamine, (S)-isomer|Evodiamine;|(?)-Evodiamine|PubChem18244|Evodiamine (Isoevodiamine)|SureCN682158|AC1L9C8E|Oprea1_236793|Evodiamine, Evodia rutaecarpa|SCHEMBL139349|CHEBI:95196|HY-N0114A|DTXSID401347170|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)-|LSM-6483|BDBM50016250|MFCD00016673|NSC258314|s2382|AKOS015894237|BCP9000671|CCG-208627|NSC-258314|NCGC00163553-01|NCGC00163553-02|NCGC00163553-03|AC-24421|AS-15078|XE178590|LS-175304|CS-0173730|E1012|FT-0651829|T72558|SR-05000002159|Q5418554|SR-05000002159-2|BRD-A68631409-001-01-3|8,13,13b,14-tetrahydro-14-methylindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7h)-one|(1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.0^{2,10.0^{4,9.0^{15,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one|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|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 |