(6S,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
| Internal ID | 8fbbe695-a10b-48e4-b94d-bd7910f1a1f5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6S,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O9/c1-24-8-4-10(20)15-14(5-8)27-17-18(22)28-11-7-13(26-3)12(25-2)6-9(11)19(17,23)16(15)21/h4-7,17-18,20,22-23H,1-3H3/t17-,18+,19+/m1/s1 |
| InChI Key | CJIMGNHPOXRALG-QYZOEREBSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18O9 |
| Molecular Weight | 390.30 g/mol |
| Exact Mass | 390.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 124.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of (6S,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/6s6as12ar-61112a-trihydroxy-239-trimethoxy-66a-dihydrochromeno34-bchromen-12-one.jpg "2D Structure of (6S,6aS,12aR)-6,11,12a-trihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.91% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.27% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.30% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.15% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.39% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.43% | 99.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.40% | 91.07% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.49% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.46% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.84% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.89% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.78% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.79% | 92.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 81.53% | 91.79% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.52% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.18% | 95.89% |
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.
| Clitoria fairchildiana |
| PubChem | 163032158 |
| LOTUS | LTS0226633 |
| wikiData | Q104961175 |