(E,6S,7S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnon-2-ene-1,6,7-triol
| Internal ID | c99bda63-d862-486f-b741-1cd1b07bf428 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Retinoids |
| IUPAC Name | (E,6S,7S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnon-2-ene-1,6,7-triol |
| SMILES (Canonical) | CC(=CCO)CCC(C(C)(CCC1C(=C)CCCC1(C)C)O)O |
| SMILES (Isomeric) | C/C(=C\CO)/CC[C@@H]([C@](C)(CC[C@@H]1C(=C)CCCC1(C)C)O)O |
| InChI | InChI=1S/C20H36O3/c1-15(11-14-21)8-9-18(22)20(5,23)13-10-17-16(2)7-6-12-19(17,3)4/h11,17-18,21-23H,2,6-10,12-14H2,1,3-5H3/b15-11+/t17-,18+,20+/m1/s1 |
| InChI Key | IHNSIOSAGOBQIP-XTRBTJPHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H36O3 |
| Molecular Weight | 324.50 g/mol |
| Exact Mass | 324.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (E,6S,7S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnon-2-ene-1,6,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/e6s7s-9-1s-22-dimethyl-6-methylidenecyclohexyl-37-dimethylnon-2-ene-167-triol.jpg "2D Structure of (E,6S,7S)-9-[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]-3,7-dimethylnon-2-ene-1,6,7-triol")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 99.62% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.45% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.19% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.61% | 98.95% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 89.47% | 99.43% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 89.22% | 83.82% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.10% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 87.71% | 97.93% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 87.35% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 86.29% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.83% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.63% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.83% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.26% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 83.23% | 98.10% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 82.12% | 98.33% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.68% | 97.79% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.23% | 91.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.71% | 93.56% |
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.
| Bellardia trixago |
| PubChem | 162896658 |
| LOTUS | LTS0245206 |
| wikiData | Q105113150 |