2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)-
| Internal ID | efad6981-0003-447e-9b29-5c7f6f9a0a4a |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins |
| IUPAC Name | 6-hydroxy-7-methoxy-5-(3-methylbut-2-enyl)chromen-2-one |
| SMILES (Canonical) | CC(=CCC1=C2C=CC(=O)OC2=CC(=C1O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C2C=CC(=O)OC2=CC(=C1O)OC)C |
| InChI | InChI=1S/C15H16O4/c1-9(2)4-5-11-10-6-7-14(16)19-12(10)8-13(18-3)15(11)17/h4,6-8,17H,5H2,1-3H3 |
| InChI Key | DAARURPOCNTVJM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O4 |
| Molecular Weight | 260.28 g/mol |
| Exact Mass | 260.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 3.50 |
| 2H-1-Benzopyran-2-one, 6-hydroxy-7-methoxy-5-(3-methyl-2-butenyl)- |
| DTXSID40478507 |
| 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 | 99.51% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.41% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.17% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.61% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.77% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.55% | 95.56% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.55% | 94.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.12% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.61% | 89.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.15% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.06% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.68% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.88% | 89.62% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 80.28% | 98.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.07% | 83.57% |
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.
| Cedrelopsis grevei |
| PubChem | 12144100 |
| LOTUS | LTS0085322 |
| wikiData | Q82311940 |