methyl-5,10-dihydroxy-7-methoxy-3-methyl-3-(4-methyl-3-pentenyl)-3H-benzo(f)chromene-9-carboxylate
| Internal ID | 872d8093-ae6d-4a22-bdc0-77f1d7e24eff |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | methyl 5,10-dihydroxy-7-methoxy-3-methyl-3-(4-methylpent-3-enyl)benzo[f]chromene-9-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H26O6/c1-13(2)7-6-9-23(3)10-8-14-19-15(11-17(24)21(14)29-23)18(27-4)12-16(20(19)25)22(26)28-5/h7-8,10-12,24-25H,6,9H2,1-5H3 |
| InChI Key | KOZKSXRTQNRWGJ-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C23H26O6 |
| Molecular Weight | 398.40 g/mol |
| Exact Mass | 398.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
| 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 | 99.87% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 99.15% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.50% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.62% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.14% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.87% | 89.50% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 88.74% | 94.42% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.64% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.50% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.49% | 86.33% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.33% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.33% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.82% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.85% | 91.19% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.67% | 96.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.33% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.05% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.34% | 90.00% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.08% | 96.90% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.03% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.07% | 89.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.26% | 94.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.03% | 90.71% |
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.
| Rhodopentas bussei |
| PubChem | 11112105 |
| LOTUS | LTS0077041 |
| wikiData | Q105144069 |