Villosol
| Internal ID | eab68711-12f6-4766-8dae-660b28bb50b5 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6R)-10-hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC)O |
| InChI | InChI=1S/C23H20O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,24H,1,6,9H2,2-4H3/t14-/m1/s1 |
| InChI Key | STFNGWNFASVBRR-CQSZACIVSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C23H20O7 |
| Molecular Weight | 408.40 g/mol |
| Exact Mass | 408.12090297 g/mol |
| Topological Polar Surface Area (TPSA) | 83.40 Ų |
| XlogP | 4.20 |
| 60077-62-5 |
| DTXSID90208816 |
| AKOS040760850 |
| AC-34028 |
| (1)Benzopyrano(3,4-b)furo(2,3-h)(1)benzopyran-6(12H)-one, 1,2,-dihydro-5-hydroxy-8,9-dimethoxy-2-(1-methylethenyl)-, (R)- |
| (6R)-10-Hydroxy-16,17-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-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 | 98.95% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.84% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.44% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.62% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.62% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.51% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.99% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.71% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.60% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.98% | 94.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.34% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.10% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.02% | 95.89% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 86.45% | 98.21% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.20% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.79% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.25% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.60% | 96.86% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.67% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.48% | 99.17% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.39% | 96.21% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.87% | 89.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.91% | 96.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.91% | 94.80% |
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.
| Millettia brandisiana |
| Patrinia scabra |
| Tephrosia sinapou |
| PubChem | 5490819 |
| LOTUS | LTS0269241 |
| wikiData | Q83082973 |