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-hexaene-1,24-diol
| Internal ID | 8e380189-8b85-4391-b279-221bbf0315b0 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Rotenoids > Rotenones |
| IUPAC Name | 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-hexaene-1,24-diol |
| SMILES (Canonical) | C1C2C(C(C3=C(O2)C4=C(C=C3)OCO4)O)(C5=CC6=C(C=C5O1)OCO6)O |
| SMILES (Isomeric) | C1C2C(C(C3=C(O2)C4=C(C=C3)OCO4)O)(C5=CC6=C(C=C5O1)OCO6)O |
| InChI | InChI=1S/C18H14O8/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/h1-4,14,17,19-20H,5-7H2 |
| InChI Key | DAVDZIGDWFWYRS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H14O8 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.06886740 g/mol |
| Topological Polar Surface Area (TPSA) | 95.80 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of 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-hexaene-1,24-diol](https://plantaedb.com/storage/docs/compounds/2023/11/9aed7fd0-820f-11ee-bd8c-456e58a59d5d.jpg "2D Structure of 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-hexaene-1,24-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.31% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.79% | 91.11% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 94.57% | 94.80% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.83% | 96.77% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.95% | 100.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.67% | 92.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.10% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.08% | 97.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.60% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.49% | 89.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.27% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.73% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.15% | 95.89% |
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 | 163028784 |
| LOTUS | LTS0159433 |
| wikiData | Q104974010 |