2,6,10-Trimethyl-1-(2-methyl-1,3-thiazol-4-yl)trideca-1,5-diene-3,11-diol
| Internal ID | 7d2418f9-7c69-45ac-af01-32be50d7bfb5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | 2,6,10-trimethyl-1-(2-methyl-1,3-thiazol-4-yl)trideca-1,5-diene-3,11-diol |
| SMILES (Canonical) | CCC(C(C)CCCC(=CCC(C(=CC1=CSC(=N1)C)C)O)C)O |
| SMILES (Isomeric) | CCC(C(C)CCCC(=CCC(C(=CC1=CSC(=N1)C)C)O)C)O |
| InChI | InChI=1S/C20H33NO2S/c1-6-19(22)15(3)9-7-8-14(2)10-11-20(23)16(4)12-18-13-24-17(5)21-18/h10,12-13,15,19-20,22-23H,6-9,11H2,1-5H3 |
| InChI Key | QLPPQPNJLHXPOV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H33NO2S |
| Molecular Weight | 351.50 g/mol |
| Exact Mass | 351.22320047 g/mol |
| Topological Polar Surface Area (TPSA) | 81.60 Ų |
| XlogP | 5.60 |
| 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 | 95.33% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.80% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.64% | 98.95% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 92.12% | 92.68% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.67% | 87.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.51% | 95.50% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.40% | 90.24% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.01% | 93.56% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.35% | 85.30% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 86.18% | 96.90% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.19% | 99.17% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.97% | 100.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.32% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.16% | 90.71% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 80.31% | 97.23% |
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 | 162951848 |
| LOTUS | LTS0078707 |
| wikiData | Q104195944 |