| Phytochemical Name : Cusparine |
| PCNDIDC0295 |
| Pubchem CID : 442893 |
| Molecular formula: C19H17NO3 |
| Canonical SMILES : COC1=CC(=NC2=CC=CC=C21)CCC3=CC4=C(C=C3)OCO4 |
Synonymes : Cusparine|Cusparine [MI]|529-92-0|UNII-2O6Z9S15DF|2O6Z9S15DF|4-Methoxy-2-(3,4-methylenedioxyphenethyl)quinoline|2-(2-(1,3-Benzodioxol-5-yl)ethyl)-4-methoxyquinoline|CHEBI:3964|CHEMBL456954|Quinoline, 2-(2-(1,3-benzodioxol-5-yl)ethyl)-4-methoxy-|C10655|AKOS000277515|AC1L9DLB|SureCN952682|SCHEMBL952682|DTXSID70331994|Q5795071|2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-quinoline |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.550 |
| Log Po/w (XLOGP3) : 4.230 |
| Log Po/w (WLOGP) : 3.760 |
| Log Po/w (MLOGP) : 2.790 |
| Log Po/w (SILICOS-IT) : 4.630 |
| Consensus Log Po/w : 3.790 |