2,14-Dihydroxy-2,6,10,14-tetramethylhexadeca-3,10,15-trien-5-one
| Internal ID | 6ef474f4-332b-40b6-9979-f616e411d6ba |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2,14-dihydroxy-2,6,10,14-tetramethylhexadeca-3,10,15-trien-5-one |
| SMILES (Canonical) | CC(CCCC(=CCCC(C)(C=C)O)C)C(=O)C=CC(C)(C)O |
| SMILES (Isomeric) | CC(CCCC(=CCCC(C)(C=C)O)C)C(=O)C=CC(C)(C)O |
| InChI | InChI=1S/C20H34O3/c1-7-20(6,23)14-9-11-16(2)10-8-12-17(3)18(21)13-15-19(4,5)22/h7,11,13,15,17,22-23H,1,8-10,12,14H2,2-6H3 |
| InChI Key | RCJNRKCNSIKNEE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H34O3 |
| Molecular Weight | 322.50 g/mol |
| Exact Mass | 322.25079494 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 3.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 93.36% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.19% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.99% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.67% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.56% | 93.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.56% | 89.34% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.16% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.78% | 85.94% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 85.09% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.04% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.01% | 97.25% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.43% | 98.75% |
| CHEMBL5979 | P05186 | Alkaline phosphatase, tissue-nonspecific isozyme | 82.85% | 85.40% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.01% | 96.90% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.90% | 93.18% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 81.85% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.38% | 97.21% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.47% | 91.11% |
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.
| Helichrysum oreophilum |
| PubChem | 129686288 |
| LOTUS | LTS0074440 |
| wikiData | Q105233713 |