| Phytochemical Name : Deoxypeganine |
| PCNDIDD0080 |
| Pubchem CID : 442894 |
| Molecular formula: C11H12N2 |
| Canonical SMILES : C1CC2=NC3=CC=CC=C3CN2C1 |
Synonymes : Deoxypeganine|Desoxypeganine|3-Deoxyvasicine|495-59-0|1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline|Deoxypeganin|3-Deoxypeganine|A3P6YTL6RH|1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLINE|CHEBI:4428|CHEMBL355821|Pyrrolo(2,1-b)quinazoline, 1,2,3,9-tetrahydro-|Deoxyvasicine; DesoxyPeganin; Desoxypeganine; Pegene|1,2,3,9-TETRAHYDROPYRROLO(2,1-B)QUINAZOLINE|SR-01000783332|DEOXYLINARINE|DEOXYVASICINE|PEGENE|VASICINE, DEOXY-|Spectrum2_001690|Spectrum3_001158|Spectrum4_001977|Spectrum5_000927|UNII-A3P6YTL6RH|D0T5AW|1,2,3,9-Tetrahydro-pyrrolo[2,1-b]quinazoline|BSPBio_002715|KBioGR_002479|SPBio_001620|SCHEMBL3387188|KBio3_002215|DTXSID40197807|HMS1672N18|BBL010599|BDBM50289102|STK801663|AKOS000591523|SDCCGMLS-0066767.P001|Desoxypeganine, HF Arzneimittelforschung|Alcoholism therapy, HF Arzneimittelforschung|HY-108048|CS-0027228|EN300-186641|AB00830873-04|AB00830873-05|SR-01000783332-4|BRD-K13819402-001-01-5|BRD-K13819402-003-02-9|BRD-K13819402-003-06-0|Q27106379 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.400 |
| Log Po/w (XLOGP3) : 2.990 |
| Log Po/w (WLOGP) : 2.810 |
| Log Po/w (MLOGP) : 2.070 |
| Log Po/w (SILICOS-IT) : 3.430 |
| Consensus Log Po/w : 2.940 |