(6R,21Z)-10-hydroxy-16,17-dimethoxy-21-(methoxymethylidene)-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 | 1a15eb6f-b36e-47c6-a2e2-f3c61ba485e4 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (6R,21Z)-10-hydroxy-16,17-dimethoxy-21-(methoxymethylidene)-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=COC)OC)OC)O |
| SMILES (Isomeric) | CC(=C)[C@H]1CC2=C(O1)C=C(C3=C2OC\4=C(C3=O)C5=CC(=C(C=C5O/C4=C\OC)OC)OC)O |
| InChI | InChI=1S/C25H22O8/c1-11(2)15-7-13-16(31-15)8-14(26)22-23(27)21-12-6-18(29-4)19(30-5)9-17(12)32-20(10-28-3)25(21)33-24(13)22/h6,8-10,15,26H,1,7H2,2-5H3/b20-10-/t15-/m1/s1 |
| InChI Key | GRAGCGUVWZEKFU-RKQRPNFGSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H22O8 |
| Molecular Weight | 450.40 g/mol |
| Exact Mass | 450.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of (6R,21Z)-10-hydroxy-16,17-dimethoxy-21-(methoxymethylidene)-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/2023/11/0b8cde20-8564-11ee-935e-55e1982f68d9.jpg "2D Structure of (6R,21Z)-10-hydroxy-16,17-dimethoxy-21-(methoxymethylidene)-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 | 99.44% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.54% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.72% | 92.94% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.37% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.18% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.02% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.27% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.06% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.89% | 98.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.41% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.15% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.01% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.94% | 99.17% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.53% | 100.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.37% | 91.19% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 83.23% | 96.86% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.05% | 96.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.74% | 89.50% |
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 | 163190118 |
| LOTUS | LTS0221430 |
| wikiData | Q105015645 |