Aristophyllide C
| Internal ID | 6ac7be46-6b10-4083-a06b-adf080d5740e |
| Taxonomy | Benzenoids > Phenanthrenes and derivatives > Aristolochic acids and derivatives |
| IUPAC Name | [(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C31H29NO7/c1-5-31(4)12-8-10-21(28(31)18(2)16-33)13-19(3)39-30(34)23-15-25-29(38-17-37-25)27-22-11-7-6-9-20(22)14-24(26(23)27)32(35)36/h5-7,9-11,14-16,19,28H,1-2,8,12-13,17H2,3-4H3/t19-,28+,31-/m0/s1 |
| InChI Key | IIBMSRRBRIHDMP-GOVLGDJKSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C31H29NO7 |
| Molecular Weight | 527.60 g/mol |
| Exact Mass | 527.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 7.20 |
| ((2S)-1-((5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl)propan-2-yl) 6-nitronaphtho(2,1-g)(1,3)benzodioxole-5-carboxylate |
| [(2S)-1-[(5R,6R)-5-ethenyl-5-methyl-6-(3-oxoprop-1-en-2-yl)cyclohexen-1-yl]propan-2-yl] 6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylate |
| RefChem:114067 |
| 221148-62-5 |
| CHEMBL454825 |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.95% | 89.76% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.97% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.91% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.15% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.88% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.29% | 96.77% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 95.16% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.61% | 86.33% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 92.16% | 93.81% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.13% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.50% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.30% | 89.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 89.21% | 95.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.83% | 95.50% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.73% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 86.68% | 97.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.65% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.50% | 90.00% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 83.40% | 80.96% |
| CHEMBL4072 | P07858 | Cathepsin B | 82.95% | 93.67% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 81.30% | 89.44% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 80.98% | 85.30% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.89% | 96.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.73% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.02% | 91.19% |
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 kaempferi |
| PubChem | 10839881 |
| LOTUS | LTS0083152 |
| wikiData | Q105113374 |