| Phytochemical Name : Aristolochic acid |
| PCNDIDA0179 |
| Pubchem CID : 2236 |
| Molecular formula: C17H11NO7 |
| Canonical SMILES : COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O |
Synonymes : Aristolochic acid|Aristolochic acid A|313-67-7|Aristolochic acid I|Aristolochin|Tardolyt|Aristolochic acid-I|ARISTOLOCHINE|Birthwort|TR 1736|Aristolochiazaeure|NSC-50413|Aristolochic acid 1|CCRIS 1544|8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|C17H11NO7|NSC11926|EINECS 206-238-3|3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid|NSC 11926|NSC 50413|UNII-94218WFP5T|BRN 0345159|CHEBI:2825|ARISTOLOCHIA A|8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid|94218WFP5T|NSC50413|NSC-11926|8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid|Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-|CHEMBL93353|MLS002702976|Aristolochic acid I;TR 1736|DTXSID0040969|8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure|8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid|8-methoxy-6-nitrophenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid|Phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-|TR-1736|ARISTOLOCHIC ACID (IARC)|ARISTOLOCHIC ACID [IARC]|8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid|SMR001562128|SR-05000002369|ARISTOLOCHIC ACID, PLANTS CONTAINING (IARC)|ARISTOLOCHIC ACID, PLANTS CONTAINING [IARC]|Aristolochia|Phenanthro[3,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-|8-methoxy-6-nitrophenanthro(3,4-d)(1,3)dioxole-5-carboxylic acid|AristolochicacidA|aris-tolochic acid|GOQ|Aristolochic-acid-A|MFCD00004996|Spectrum_001156|SpecPlus_000448|Spectrum2_000822|Spectrum3_001114|Spectrum4_001952|Spectrum5_000729|Aristolochic acid A,(S)|NCIMech_000812|Aristolochic acid I, powder|BSPBio_001440|BSPBio_002848|KBioGR_000160|KBioGR_002387|KBioSS_000160|KBioSS_001636|MLS002695974|DivK1c_006544|SCHEMBL166284|SPECTRUM1502233|SPBio_000743|ARISTOLOCHIC ACID [MI]|DTXCID8020969|GTPL12438|KBio1_001488|KBio2_000160|KBio2_001636|KBio2_002728|KBio2_004204|KBio2_005296|KBio2_006772|KBio3_000319|KBio3_000320|KBio3_002068|Bio1_000418|Bio1_000907|Bio1_001396|Bio2_000160|Bio2_000640|HMS1361H22|HMS1791H22|HMS1989H22|HMS3402H22|ARISTOLOCHIC ACID [WHO-DD]|HY-N0510|TNP00273|8-methoxy-6-nitro-naphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid|BDBM50306855|CCG-35796|CCG-36162|s9193|Mixture of Aristolochic Acid A and B|8-METHOXY-6-NITROPHENANTHROL(3,4-D)-1,3-DIOXIDE-5-CARBOXYLIC ACID|AKOS015896751|IDI1_033910|2-Naphthyl Pyrovalerone-d8 Hydrochloride|NCGC00017334-01|NCGC00017334-02|NCGC00017334-03|NCGC00017334-04|NCGC00017334-05|NCGC00017334-06|NCGC00017334-07|NCGC00095981-01|NCGC00095981-02|NCGC00095981-03|NCGC00095981-04|NCGC00095981-05|1246815-48-4|AC-34489|BS-16911|LS-21656|NCI60_000460|XA167153|CS-0009050|FT-0602867|C08469|Q-100394|SR-05000002369-2|SR-05000002369-3|Q21099362|Aristolochia, European Pharmacopoeia (EP) Reference Standard|8-Methoxy-6-nitro-phenanthro[3,4-d]-1,3-dioxole-5-carboxylic acid|8-Methoxy-6-nitro-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|Aristolochic acid I, European Pharmacopoeia (EP) Reference Standard|8-Methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid #|Phenanthro[3,4-d]-1,3-dioxole-5-carbocylic acid, 8-methoxy-6-nitro- |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.960 |
| Log Po/w (XLOGP3) : 3.560 |
| Log Po/w (WLOGP) : 3.340 |
| Log Po/w (MLOGP) : 1.350 |
| Log Po/w (SILICOS-IT) : 1.140 |
| Consensus Log Po/w : 2.270 |

