1-(3-Hydroxybut-1-enyl)-2,2,6-trimethylcyclohexane-1,4-diol
| Internal ID | ea68364a-b32b-4f51-af3d-ca839476f919 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 1-(3-hydroxybut-1-enyl)-2,2,6-trimethylcyclohexane-1,4-diol |
| SMILES (Canonical) | CC1CC(CC(C1(C=CC(C)O)O)(C)C)O |
| SMILES (Isomeric) | CC1CC(CC(C1(C=CC(C)O)O)(C)C)O |
| InChI | InChI=1S/C13H24O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-6,9-11,14-16H,7-8H2,1-4H3 |
| InChI Key | OJGKTHCXUFNMIQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C13H24O3 |
| Molecular Weight | 228.33 g/mol |
| Exact Mass | 228.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 60.70 Ų |
| XlogP | 1.30 |
| 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 | 98.53% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.98% | 96.09% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 92.61% | 95.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.37% | 85.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.05% | 91.49% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 88.58% | 85.31% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.49% | 91.11% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.79% | 92.86% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.17% | 90.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.74% | 91.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.79% | 96.47% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.36% | 97.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.00% | 95.93% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.58% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.56% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.25% | 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.
| Alangium premnifolium |
| Helianthus annuus |
| PubChem | 74193868 |
| LOTUS | LTS0251419 |
| wikiData | Q105193076 |