Vernolepin Methacrylate
| Internal ID | 35b78f30-a7d2-4778-858c-b3794f1e9ad8 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives |
| IUPAC Name | [(3aR,4S,5aR,9aR,9bR)-5a-ethenyl-3,9-dimethylidene-2,8-dioxo-3a,4,5,6,9a,9b-hexahydrofuro[2,3-f]isochromen-4-yl] 2-methylprop-2-enoate |
| SMILES (Canonical) | CC(=C)C(=O)OC1CC2(COC(=O)C(=C)C2C3C1C(=C)C(=O)O3)C=C |
| SMILES (Isomeric) | CC(=C)C(=O)O[C@H]1C[C@@]2(COC(=O)C(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)C=C |
| InChI | InChI=1S/C19H20O6/c1-6-19-7-12(24-16(20)9(2)3)13-10(4)18(22)25-15(13)14(19)11(5)17(21)23-8-19/h6,12-15H,1-2,4-5,7-8H2,3H3/t12-,13+,14+,15-,19+/m0/s1 |
| InChI Key | WNGDKMLYWZSVCB-WSVVRNJXSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H20O6 |
| Molecular Weight | 344.40 g/mol |
| Exact Mass | 344.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 78.90 Ų |
| XlogP | 2.90 |
| CHEMBL484676 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.76% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.86% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.92% | 97.25% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.90% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.76% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.84% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.16% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.01% | 91.07% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.79% | 96.09% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.81% | 95.50% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.56% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.18% | 100.00% |
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.
| Linzia glabra |
| PubChem | 44579832 |
| LOTUS | LTS0102464 |
| wikiData | Q105309055 |