9-(2,2-Dimethyl-6-methylidenecyclohexyl)-3-methyl-7-methylidenenon-2-ene-1,6-diol
| Internal ID | 35726a5a-0c4a-4798-a3c4-d23ecae284b6 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Retinoids |
| IUPAC Name | 9-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methyl-7-methylidenenon-2-ene-1,6-diol |
| SMILES (Canonical) | CC(=CCO)CCC(C(=C)CCC1C(=C)CCCC1(C)C)O |
| SMILES (Isomeric) | CC(=CCO)CCC(C(=C)CCC1C(=C)CCCC1(C)C)O |
| InChI | InChI=1S/C20H34O2/c1-15(12-14-21)8-11-19(22)17(3)9-10-18-16(2)7-6-13-20(18,4)5/h12,18-19,21-22H,2-3,6-11,13-14H2,1,4-5H3 |
| InChI Key | RCJPBQXKRJHRGW-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O2 |
| Molecular Weight | 306.50 g/mol |
| Exact Mass | 306.255880323 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.64% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 97.98% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.00% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.98% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.02% | 94.45% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 89.49% | 95.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.81% | 97.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.63% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.43% | 100.00% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 85.28% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.15% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.24% | 94.75% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.01% | 82.69% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 82.36% | 95.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.19% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.94% | 100.00% |
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 | 163047601 |
| LOTUS | LTS0131212 |
| wikiData | Q105233715 |