11-Hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione
| Internal ID | 70e958e0-3485-4d40-a0e4-741956102232 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids |
| IUPAC Name | 11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H18O8/c1-23(2)6-5-10-14(31-23)8-12(24)18-19(25)17-11-7-15(27-3)16(28-4)9-13(11)29-22(26)21(17)30-20(10)18/h5-9,24H,1-4H3 |
| InChI Key | CTZYCWHOPAEGRU-UHFFFAOYSA-N |
| Popularity | 1 reference 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 | 3.90 |
| There are no found synonyms. |
![2D Structure of 11-Hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione](https://plantaedb.com/storage/docs/compounds/2023/11/e85ba870-84f6-11ee-b5d6-030744517ec3.jpg "2D Structure of 11-Hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaene-13,22-dione")
| 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 | 99.59% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.07% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 94.06% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.02% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.79% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.81% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.77% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.58% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.51% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.17% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.16% | 93.99% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.59% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.49% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.33% | 94.42% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.31% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.51% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.27% | 92.94% |
| CHEMBL290 | Q13370 | Phosphodiesterase 3B | 80.96% | 94.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.68% | 96.21% |
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.
| There are no matching plants. |
| PubChem | 101928568 |
| LOTUS | LTS0069449 |
| wikiData | Q104970142 |