(6R)-16,17-dimethoxy-21-methylidene-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
| Internal ID | b9c697ff-4f38-41b2-abd6-fce94848b45b |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6R)-16,17-dimethoxy-21-methylidene-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=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=C)OC)OC |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4=C)OC)OC |
| InChI | InChI=1S/C24H20O6/c1-11(2)17-9-15-16(29-17)7-6-13-22(25)21-14-8-19(26-4)20(27-5)10-18(14)28-12(3)23(21)30-24(13)15/h6-8,10,17H,1,3,9H2,2,4-5H3/t17-/m1/s1 |
| InChI Key | MOQZYKKXGOFEBJ-QGZVFWFLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H20O6 |
| Molecular Weight | 404.40 g/mol |
| Exact Mass | 404.12598835 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 4.60 |
| There are no found synonyms. |
![2D Structure of (6R)-16,17-dimethoxy-21-methylidene-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](https://plantaedb.com/storage/docs/compounds/2023/11/88943240-869f-11ee-bbe8-91fd48edce42.jpg "2D Structure of (6R)-16,17-dimethoxy-21-methylidene-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 | 98.91% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.65% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.52% | 98.95% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 92.57% | 96.86% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.50% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.49% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.55% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.72% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.22% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.63% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.55% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.45% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.97% | 92.94% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.11% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.27% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.73% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.69% | 100.00% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.08% | 97.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.01% | 96.09% |
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 | 163043791 |
| LOTUS | LTS0122513 |
| wikiData | Q105169093 |