Aristolochic acid IV methyl ester
| Internal ID | 44b200ab-553b-411d-90a4-71c351b36110 |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Aristolochic acids and derivatives |
| IUPAC Name | methyl 8,10-dimethoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate |
| SMILES (Canonical) | COC1=CC2=C3C(=C(C=C2C(=C1)OC)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)OC |
| SMILES (Isomeric) | COC1=CC2=C3C(=C(C=C2C(=C1)OC)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)OC |
| InChI | InChI=1S/C19H15NO8/c1-24-9-4-11-10(14(5-9)25-2)6-13(20(22)23)16-12(19(21)26-3)7-15-18(17(11)16)28-8-27-15/h4-7H,8H2,1-3H3 |
| InChI Key | ZBPXXSGUWSGXMY-UHFFFAOYSA-N |
| Popularity | 9 references in papers |
| Molecular Formula | C19H15NO8 |
| Molecular Weight | 385.30 g/mol |
| Exact Mass | 385.07976644 g/mol |
| Topological Polar Surface Area (TPSA) | 109.00 Ų |
| XlogP | 3.90 |
| 17448-02-1 |
| DTXSID40169827 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.17% | 96.77% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.01% | 94.45% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.85% | 94.80% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.55% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.22% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.21% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 91.68% | 89.76% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.97% | 92.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.85% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.64% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.16% | 90.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.90% | 80.96% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.77% | 96.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.65% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.06% | 98.95% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 82.87% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.33% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.31% | 94.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.86% | 91.07% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.68% | 94.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.88% | 90.20% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Aristolochia coryi |
| Aristolochia cucurbitifolia |
| Aristolochia kaempferi |
| Aristolochia kwangsiensis |
| Aristolochia manshuriensis |
| Aristolochia zollingeriana |
| PubChem | 176931 |
| LOTUS | LTS0067766 |
| wikiData | Q83039603 |