(1S,14S,22R)-11,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,21-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-one
| Internal ID | 4d15a41c-d761-4dee-8cc0-b00d0b9f769e |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | (1S,14S,22R)-11,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,21-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-one |
| SMILES (Canonical) | CC1(CC2=CC(=C3C(=O)C4C(C(OC5=CC(=C(C=C45)OC)OC)O)OC3=C2C=C1)O)C |
| SMILES (Isomeric) | CC1(CC2=CC(=C3C(=O)[C@@H]4[C@@H]([C@@H](OC5=CC(=C(C=C45)OC)OC)O)OC3=C2C=C1)O)C |
| InChI | InChI=1S/C24H24O7/c1-24(2)6-5-12-11(10-24)7-14(25)19-20(26)18-13-8-16(28-3)17(29-4)9-15(13)30-23(27)22(18)31-21(12)19/h5-9,18,22-23,25,27H,10H2,1-4H3/t18-,22+,23-/m1/s1 |
| InChI Key | VCCSUWSKUVIDLW-YFXJRYMSSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H24O7 |
| Molecular Weight | 424.40 g/mol |
| Exact Mass | 424.15220310 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (1S,14S,22R)-11,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,21-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/5ff5ad30-85a8-11ee-99b5-279e57b19c7c.jpg "2D Structure of (1S,14S,22R)-11,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,21-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3,5,9,11,15,17,19-heptaen-13-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 | 99.37% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.73% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.65% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.64% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.57% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.74% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 89.27% | 92.94% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.03% | 91.07% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.29% | 99.23% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.10% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.41% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.16% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.14% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.71% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 84.31% | 96.77% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 84.27% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.17% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.07% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.43% | 97.14% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.62% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.58% | 91.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.33% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.29% | 100.00% |
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.
| Tephrosia villosa |
| PubChem | 162947671 |
| LOTUS | LTS0100744 |
| wikiData | Q105283629 |