6,12a-Dihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
| Internal ID | 1059b0d5-a400-4f58-bccc-7f575aca4544 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 6,12a-dihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| SMILES (Canonical) | COC1=CC2=C(C=C1)C(=O)C3(C(O2)C(OC4=CC(=C(C=C43)OC)OC)O)O |
| SMILES (Isomeric) | COC1=CC2=C(C=C1)C(=O)C3(C(O2)C(OC4=CC(=C(C=C43)OC)OC)O)O |
| InChI | InChI=1S/C19H18O8/c1-23-9-4-5-10-12(6-9)26-17-18(21)27-13-8-15(25-3)14(24-2)7-11(13)19(17,22)16(10)20/h4-8,17-18,21-22H,1-3H3 |
| InChI Key | DKNLJCRQRYRUNC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O8 |
| Molecular Weight | 374.30 g/mol |
| Exact Mass | 374.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of 6,12a-Dihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/612a-dihydroxy-239-trimethoxy-66a-dihydrochromeno34-bchromen-12-one.jpg "2D Structure of 6,12a-Dihydroxy-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 | 94.35% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.32% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.43% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.36% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.61% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.58% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.28% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.43% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.42% | 95.89% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.09% | 96.86% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.60% | 93.31% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.46% | 92.62% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.37% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.89% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.77% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.38% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.04% | 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.
| Clitoria fairchildiana |
| PubChem | 162894981 |
| LOTUS | LTS0119348 |
| wikiData | Q104983479 |