5-Chloro-4-hydroxy-2-(2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde
| Internal ID | a24b256c-081e-4054-b0e9-b5c4ca96a6c9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 5-chloro-4-hydroxy-2-(2-hydroxy-6,10-dimethylundeca-5,9-dien-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-7-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H31ClO4/c1-14(2)8-6-9-15(3)10-7-11-23(5,27)19-12-17-21(26)20(24)16(4)18(13-25)22(17)28-19/h8,10,13,19,26-27H,6-7,9,11-12H2,1-5H3 |
| InChI Key | JAXLESZZOAELTH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H31ClO4 |
| Molecular Weight | 406.90 g/mol |
| Exact Mass | 406.1910872 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3401 | O75469 | Pregnane X receptor | 96.57% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.08% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 93.15% | 98.75% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 92.57% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.29% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 89.81% | 89.34% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.37% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.95% | 98.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 87.50% | 96.12% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.21% | 96.90% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.79% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.98% | 94.45% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.93% | 90.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.40% | 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.
| There are no matching plants. |
| PubChem | 162911989 |
| LOTUS | LTS0062784 |
| wikiData | Q104169346 |