| Phytochemical Name : Deoxyvasicinone |
| PCNDIDD0083 |
| Pubchem CID : 68261 |
| Molecular formula: C11H10N2O |
| Canonical SMILES : C1CC2=NC3=CC=CC=C3C(=O)N2C1 |
Synonymes : Deoxyvasicinone|530-53-0|2,3-Trimethylene-4-quinazolone|2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one|2,3-Dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one|Pegenone|1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-9-one|CHEBI:4435|CHEMBL456881|Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-|NSC 159478|3H-Quinazolin-4-one, 2,3-trimethyleno|9-Oxodeoxypeganine; Deoxyvasicinone; NSC 159478|Pyrrolo(2,1-b)quinazolin-9(1H)-one, 2,3-dihydro-|Desoxyvasicinon|cid_68261|MLS000088451|SCHEMBL864139|Pyrrolo[2,1-b]quinazolin-9(1H)-one,2,3-dihydro-|DTXSID90201049|HMS2507B03|HY-N3735|BBL028460|BDBM50244216|MFCD00247051|NSC159478|STL373117|AKOS002210198|NSC-159478|SMR000024071|VS-08779|CS-0024129|EN300-205076|A870835|SR-01000434191|SR-01000434191-1|Q27106382|1,2,3,10-tetrahydro-pyrrolo[2,1-b]quinazolin-9-one|Z275210418|B2703-143596 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.880 |
| Log Po/w (XLOGP3) : 1.140 |
| Log Po/w (WLOGP) : 1.120 |
| Log Po/w (MLOGP) : 1.980 |
| Log Po/w (SILICOS-IT) : 1.860 |
| Consensus Log Po/w : 1.800 |