(7R)-9-hydroxy-5-[(3S)-3-hydroxy-2-methylbutan-2-yl]-7-methyl-4-phenylcyclopenta[g]chromene-2,6,8-trione
| Internal ID | 656a4788-4212-48fc-9e6c-0c8d7e50af7d |
| Taxonomy | Phenylpropanoids and polyketides > Neoflavonoids > Neoflavones |
| IUPAC Name | (7R)-9-hydroxy-5-[(3S)-3-hydroxy-2-methylbutan-2-yl]-7-methyl-4-phenylcyclopenta[g]chromene-2,6,8-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H22O6/c1-11-20(27)17-18(21(11)28)22(29)23-16(19(17)24(3,4)12(2)25)14(10-15(26)30-23)13-8-6-5-7-9-13/h5-12,25,29H,1-4H3/t11-,12+/m1/s1 |
| InChI Key | HFAYPAPFNRWYPI-NEPJUHHUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O6 |
| Molecular Weight | 406.40 g/mol |
| Exact Mass | 406.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (7R)-9-hydroxy-5-[(3S)-3-hydroxy-2-methylbutan-2-yl]-7-methyl-4-phenylcyclopenta[g]chromene-2,6,8-trione](https://plantaedb.com/storage/docs/compounds/2023/11/7849a1b0-8570-11ee-a4b4-85b44e7ac843.jpg "2D Structure of (7R)-9-hydroxy-5-[(3S)-3-hydroxy-2-methylbutan-2-yl]-7-methyl-4-phenylcyclopenta[g]chromene-2,6,8-trione")
| 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 | 99.45% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.10% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.93% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.15% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.81% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.94% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.83% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.48% | 99.15% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 85.30% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.93% | 94.23% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 83.90% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.27% | 97.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.89% | 95.50% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 82.21% | 85.11% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.12% | 93.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.86% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.76% | 94.73% |
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.
| Kayea beccariana |
| PubChem | 162868269 |
| LOTUS | LTS0053868 |
| wikiData | Q105027200 |