7-hydroxy-5-[(2R,3S)-3-hydroxybutan-2-yl]-6,8-dimethyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one
| Internal ID | 302b3cbb-3dfa-4e37-9640-bfa8085e8004 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Hydroxycoumarins > 7-hydroxycoumarins |
| IUPAC Name | 7-hydroxy-5-[(2R,3S)-3-hydroxybutan-2-yl]-6,8-dimethyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one |
| SMILES (Canonical) | CC1CC(=O)C=C(O1)C2=CC3=C(C(=C(C(=C3C(C)C(C)O)C)O)C)OC2=O |
| SMILES (Isomeric) | C[C@@H]1CC(=O)C=C(O1)C2=CC3=C(C(=C(C(=C3[C@@H](C)[C@H](C)O)C)O)C)OC2=O |
| InChI | InChI=1S/C21H24O6/c1-9-6-14(23)7-17(26-9)15-8-16-18(10(2)13(5)22)11(3)19(24)12(4)20(16)27-21(15)25/h7-10,13,22,24H,6H2,1-5H3/t9-,10+,13+/m1/s1 |
| InChI Key | URRJLJGDNIKNRP-NRUUGDAUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O6 |
| Molecular Weight | 372.40 g/mol |
| Exact Mass | 372.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 7-hydroxy-5-[(2R,3S)-3-hydroxybutan-2-yl]-6,8-dimethyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/a60ec3c0-872c-11ee-82c5-2339fef9a054.jpg "2D Structure of 7-hydroxy-5-[(2R,3S)-3-hydroxybutan-2-yl]-6,8-dimethyl-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.94% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.81% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.61% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.30% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.42% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.01% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.56% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.16% | 99.15% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.86% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.47% | 85.14% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.63% | 86.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.12% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.04% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.35% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.18% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.25% | 85.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.82% | 90.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 80.56% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.47% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.20% | 98.75% |
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.
| There are no matching plants. |
| PubChem | 163015789 |
| LOTUS | LTS0207775 |
| wikiData | Q105277985 |