(6R)-9,11-dihydroxy-2,3,6-trimethoxy-8-(3-methylbut-2-enyl)-6H-chromeno[3,4-b]chromen-12-one
Internal ID | eeaa2364-588e-448d-b4c3-854f155d99a9 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
IUPAC Name | (6R)-9,11-dihydroxy-2,3,6-trimethoxy-8-(3-methylbut-2-enyl)-6H-chromeno[3,4-b]chromen-12-one |
SMILES (Canonical) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)C(OC4=CC(=C(C=C43)OC)OC)OC)C |
SMILES (Isomeric) | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C3=C(O2)[C@@H](OC4=CC(=C(C=C43)OC)OC)OC)C |
InChI | InChI=1S/C24H24O8/c1-11(2)6-7-12-14(25)9-15(26)20-21(27)19-13-8-17(28-3)18(29-4)10-16(13)31-24(30-5)23(19)32-22(12)20/h6,8-10,24-26H,7H2,1-5H3/t24-/m1/s1 |
InChI Key | NAKQAEMAXXAORC-XMMPIXPASA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H24O8 |
Molecular Weight | 440.40 g/mol |
Exact Mass | 440.14711772 g/mol |
Topological Polar Surface Area (TPSA) | 104.00 Ų |
XlogP | 4.40 |
There are no found synonyms. |
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 | 98.49% | 91.11% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.62% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 92.60% | 98.95% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 92.28% | 96.95% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.87% | 85.14% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.67% | 99.17% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.35% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.23% | 86.33% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.07% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 87.73% | 94.73% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 85.79% | 86.92% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.96% | 95.56% |
CHEMBL3194 | P02766 | Transthyretin | 84.82% | 90.71% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.12% | 95.89% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.24% | 92.62% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.19% | 92.94% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.83% | 97.28% |
CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.78% | 89.50% |
CHEMBL2535 | P11166 | Glucose transporter | 82.46% | 98.75% |
CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.40% | 89.34% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.83% | 96.09% |
CHEMBL5957 | P21589 | 5'-nucleotidase | 80.97% | 97.78% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.77% | 96.21% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.28% | 97.21% |
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.
Tephrosia villosa |
PubChem | 162865458 |
LOTUS | LTS0102976 |
wikiData | Q105176368 |