7-Hydroxy-4-methyl-3-(2-hydroxy-ethyl)coumarin
| Internal ID | d22e4a67-0639-4c1a-8b32-dcb9013e0da1 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-3-(2-hydroxyethyl)-4-methylchromen-2-one |
| SMILES (Canonical) | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCO |
| SMILES (Isomeric) | CC1=C(C(=O)OC2=C1C=CC(=C2)O)CCO |
| InChI | InChI=1S/C12H12O4/c1-7-9-3-2-8(14)6-11(9)16-12(15)10(7)4-5-13/h2-3,6,13-14H,4-5H2,1H3 |
| InChI Key | VCGFYFKJZGIZMX-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.22 g/mol |
| Exact Mass | 220.07355886 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 1.10 |
| 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN |
| 7-hydroxy-3-(2-hydroxyethyl)-4-methyl-2H-chromen-2-one |
| 7-hydroxy-3-(2-hydroxyethyl)-4-methylchromen-2-one |
| 10185-02-1 |
| CHEMBL251935 |
| SCHEMBL23752453 |
| DB07908 |
| CS-0224061 |
| AE-406/41057126 |
| EN300-11765625 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.33% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.98% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.15% | 94.73% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 92.94% | 92.51% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.75% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.09% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.77% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.48% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.17% | 94.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.32% | 99.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 82.46% | 98.35% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.21% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.10% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 82.08% | 93.31% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.81% | 86.92% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 80.36% | 93.65% |
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.
| Ocimum tenuiflorum |
| PubChem | 5288573 |
| LOTUS | LTS0084304 |
| wikiData | Q27097143 |