Villosone
| Internal ID | 2b165277-f554-44ad-a62e-34cd9c943ea2 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids |
| IUPAC Name | 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-heptaene-12,21-dione |
| SMILES (Canonical) | CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=O)OC)OC)O |
| SMILES (Isomeric) | CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=O)OC)OC)O |
| InChI | InChI=1S/C23H18O8/c1-9(2)13-6-11-14(29-13)7-12(24)19-20(25)18-10-5-16(27-3)17(28-4)8-15(10)30-23(26)22(18)31-21(11)19/h5,7-8,13,24H,1,6H2,2-4H3 |
| InChI Key | NNRGXPSSXAAPIW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H18O8 |
| Molecular Weight | 422.40 g/mol |
| Exact Mass | 422.10016753 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 4.30 |
| LMPK12060029 |
| 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 | 99.52% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.86% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.75% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.99% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.64% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.91% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.29% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.15% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.12% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.78% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.30% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.15% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.81% | 95.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.48% | 99.17% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 82.96% | 92.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.45% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.78% | 86.33% |
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 | 44257404 |
| LOTUS | LTS0051305 |
| wikiData | Q105182275 |