| Phytochemical Name : Aristolochic acid d |
| PCNDIDA0180 |
| Pubchem CID : 161218 |
| Molecular formula: C17H11NO8 |
| Canonical SMILES : COC1=CC(=CC2=C3C(=C(C=C12)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O)O |
Synonymes : Aristolochic acid d|17413-38-6|Aristolochic acid-D|Aristolochic acid Iva|aristolochic D|10-hydroxy-8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|CCRIS 2995|CHEMBL604748|10-hydroxy-8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid|Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 10-hydroxy-8-methoxy-6-nitro-|Aristolochicacidd|Aristolochic acid-IVa|MLS002473315|C17H11NO8|DTXSID40169766|CHEBI:194152|HMS2270M20|HY-N1465|BDBM50306860|C17-H11-N-O8|10-Hydroxy-8-methoxy-6-nitrophenanthro[3,4-d]-1,3-dioxole-5-carboxylic Acid|AKOS040760135|4'-(Trifluoromethyl)acetophenone-13C6|NCGC00247571-01|AC-34512|MS-25601|SMR001397396|CS-0016912|FT-0662285|10-HYDROXY-8-METHOXY-6-NITRO-2H-PHENANTHRO[3,4-D][1,3]DIOXOLE-5-CARBOXYLIC ACID|Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid,10-hydroxy-8-methoxy-6-nitro- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.540 |
| Log Po/w (XLOGP3) : 3.210 |
| Log Po/w (WLOGP) : 3.040 |
| Log Po/w (MLOGP) : 0.840 |
| Log Po/w (SILICOS-IT) : 0.660 |
| Consensus Log Po/w : 1.860 |