1-Hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-24-one
| Internal ID | 82585661-3b9e-401f-a822-c9e2118d39b1 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 1-hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-24-one |
| SMILES (Canonical) | C1C2C(C3=CC4=C(C=C3O1)OCO4)(C(=O)C5=C(O2)C6=C(C=C5)OCO6)O |
| SMILES (Isomeric) | C1C2C(C3=CC4=C(C=C3O1)OCO4)(C(=O)C5=C(O2)C6=C(C=C5)OCO6)O |
| InChI | InChI=1S/C18H12O8/c19-17-8-1-2-10-16(25-7-22-10)15(8)26-14-5-21-11-4-13-12(23-6-24-13)3-9(11)18(14,17)20/h1-4,14,20H,5-7H2 |
| InChI Key | JYEPVYNKUJFCHX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H12O8 |
| Molecular Weight | 356.30 g/mol |
| Exact Mass | 356.05321734 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 1-Hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-24-one](https://plantaedb.com/storage/docs/compounds/2023/11/90ded7c0-81e1-11ee-a309-4357cbfa4c39.jpg "2D Structure of 1-Hydroxy-5,7,11,14,17,19-hexaoxahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaen-24-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 | 96.78% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.72% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.92% | 94.80% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.51% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.20% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.75% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.67% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.97% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.13% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.02% | 97.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.49% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.05% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.31% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.43% | 86.33% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.81% | 82.67% |
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.
| Millettia usaramensis |
| PubChem | 162911933 |
| LOTUS | LTS0216425 |
| wikiData | Q105136953 |