(6S)-4,6,9,11-tetrahydroxy-8,10-dimethyl-6H-chromeno[3,4-b]chromen-12-one
| Internal ID | da52ff44-4df6-45a1-aac5-c5a6282b5053 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6S)-4,6,9,11-tetrahydroxy-8,10-dimethyl-6H-chromeno[3,4-b]chromen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H14O7/c1-6-12(20)7(2)15-11(13(6)21)14(22)10-8-4-3-5-9(19)16(8)25-18(23)17(10)24-15/h3-5,18-21,23H,1-2H3/t18-/m0/s1 |
| InChI Key | RYODHCVOYCFESW-SFHVURJKSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H14O7 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.07395278 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (6S)-4,6,9,11-tetrahydroxy-8,10-dimethyl-6H-chromeno[3,4-b]chromen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/6s-46911-tetrahydroxy-810-dimethyl-6h-chromeno34-bchromen-12-one.jpg "2D Structure of (6S)-4,6,9,11-tetrahydroxy-8,10-dimethyl-6H-chromeno[3,4-b]chromen-12-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 | 97.65% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.42% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.53% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.41% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.57% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.40% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.91% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.83% | 94.73% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.04% | 93.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.48% | 86.33% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.36% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.83% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.79% | 99.15% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.80% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.78% | 83.82% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.33% | 95.50% |
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.
| Mirabilis jalapa |
| PubChem | 162910386 |
| LOTUS | LTS0123415 |
| wikiData | Q104667781 |