11,12a-Dihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one
| Internal ID | 3c408191-050b-42fe-a858-a9a43f44fca1 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 11,12a-dihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one |
| SMILES (Canonical) | COC1=CC(=C2C(=C1)OC3COC4=CC(=C(C=C4C3(C2=O)O)OC)OC)O |
| SMILES (Isomeric) | COC1=CC(=C2C(=C1)OC3COC4=CC(=C(C=C4C3(C2=O)O)OC)OC)O |
| InChI | InChI=1S/C19H18O8/c1-23-9-4-11(20)17-15(5-9)27-16-8-26-12-7-14(25-3)13(24-2)6-10(12)19(16,22)18(17)21/h4-7,16,20,22H,8H2,1-3H3 |
| InChI Key | GAQSUFOBIREXHT-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 | 2.20 |
| There are no found synonyms. |
![2D Structure of 11,12a-Dihydroxy-2,3,9-trimethoxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/1112a-dihydroxy-239-trimethoxy-66a-dihydrochromeno34-bchromen-12-one.jpg "2D Structure of 11,12a-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 | 98.48% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.89% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.65% | 90.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.84% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.93% | 92.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.68% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.85% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.48% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.33% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.15% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.12% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.64% | 97.09% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.89% | 91.07% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.51% | 97.14% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.80% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.76% | 83.82% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.41% | 93.40% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.25% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.46% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.70% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.63% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.17% | 94.80% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.01% | 98.75% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.77% | 96.21% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.89% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.48% | 99.17% |
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 |
| Clitoria macrophylla |
| Millettia brandisiana |
| PubChem | 45359766 |
| LOTUS | LTS0173925 |
| wikiData | Q105005579 |