7-hydroxy-5-[(2S)-2-hydroxypropyl]-8-methyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one
| Internal ID | a5d561d9-7eba-48eb-bb49-2ffb777efbe4 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-5-[(2S)-2-hydroxypropyl]-8-methyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H20O6/c1-9(20)4-12-6-16(22)11(3)18-14(12)8-15(19(23)25-18)17-7-13(21)5-10(2)24-17/h6-10,20,22H,4-5H2,1-3H3/t9-,10+/m0/s1 |
| InChI Key | QOKXUEDIOODDAI-VHSXEESVSA-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) | 93.10 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-5-[(2S)-2-hydroxypropyl]-8-methyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/a5853da0-854a-11ee-acb4-c7941a6c13bf.jpg "2D Structure of 7-hydroxy-5-[(2S)-2-hydroxypropyl]-8-methyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one")
| 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 | 98.66% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.74% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.20% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.98% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.76% | 94.80% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.18% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.61% | 99.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.32% | 90.71% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.44% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.47% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.88% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.80% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.76% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.71% | 94.73% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.62% | 96.21% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.53% | 90.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.03% | 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.
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| There are no matching plants. |
| PubChem | 162846466 |
| LOTUS | LTS0220629 |
| wikiData | Q105224953 |