| Phytochemical Name : Aristololactam |
| PCNDIDA0182 |
| Pubchem CID : 96710 |
| Molecular formula: C17H11NO4 |
| Canonical SMILES : COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5 |
Synonymes : Aristololactam|Aristolactam I|13395-02-3|Aristololactam I|Aristololactum|Aristolactam|NSC 87406|CCRIS 1545|Aristololactam; Aristolactam|BRN 0307971|3G8CFM4T9A|CHEMBL479127|NSC-87406|8-Methoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one|Benzo(f)-1,3-benzodioxolo(6,5,4-cd)indol-5(6H)-one, 8-methoxy-|14-methoxy-3,5-dioxa-10-azapentacyclo[9.7.1.02,6.08,19.013,18]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-one|4-27-00-06628 (Beilstein Handbook Reference)|Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 8-methoxy-|Aristolactam-I|UNII-3G8CFM4T9A|DTXSID60158430|HY-N2013|NSC87406|BDBM50306869|MFCD00797313|AKOS028111118|AC-34507|LS-33655|MS-24190|CS-0018333|FT-0697578|Q-100130|8-methoxy-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-cd]benzo[f]indol-5(6H)-one|8-Methoxy-6H-benzo[f][1,3]dioxolo[4'',5'':4,5]benzo[1,2,3-cd]indol-5-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.510 |
| Log Po/w (XLOGP3) : 3.120 |
| Log Po/w (WLOGP) : 3.010 |
| Log Po/w (MLOGP) : 2.420 |
| Log Po/w (SILICOS-IT) : 4.200 |
| Consensus Log Po/w : 3.050 |