(1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(6aH)-one,12,12a-dihydro-6a-hydroxy-8,9-dimethoxy-, (6aS-cis)-
| Internal ID | b24a0d65-cd5d-49fa-8ce4-76b0bd110bf3 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (1S,13S)-13-hydroxy-16,17-dimethoxy-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14,16,18-heptaen-12-one |
| SMILES (Canonical) | COC1=C(C=C2C(=C1)C3(C(CO2)OC4=C(C3=O)C=CC5=C4C=CO5)O)OC |
| SMILES (Isomeric) | COC1=C(C=C2C(=C1)[C@@]3([C@H](CO2)OC4=C(C3=O)C=CC5=C4C=CO5)O)OC |
| InChI | InChI=1S/C20H16O7/c1-23-15-7-12-14(8-16(15)24-2)26-9-17-20(12,22)19(21)11-3-4-13-10(5-6-25-13)18(11)27-17/h3-8,17,22H,9H2,1-2H3/t17-,20-/m0/s1 |
| InChI Key | KHAJUSVOOGYFIJ-PXNSSMCTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H16O7 |
| Molecular Weight | 368.30 g/mol |
| Exact Mass | 368.08960285 g/mol |
| Topological Polar Surface Area (TPSA) | 87.40 Ų |
| XlogP | 2.50 |
| 111058-83-4 |
| 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 | 97.34% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.89% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.45% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.14% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.73% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.82% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.57% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.55% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.28% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.03% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.82% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.66% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.12% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.71% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.90% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.31% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.56% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.29% | 97.09% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.96% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.65% | 90.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.38% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.40% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.23% | 96.00% |
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.
| Derris trifoliata |
| Millettia duchesnei |
| Sarcolobus globosus |
| PubChem | 183157 |
| LOTUS | LTS0069968 |
| wikiData | Q105141070 |