[(2R,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol
| Internal ID | 7708d146-c005-4b21-9d25-0d3f1ae5ce21 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | [(2R,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H40O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5)19(15-21)22-20/h16-19,21H,6-15H2,1-5H3/t17-,18-,19-,20+/m1/s1 |
| InChI Key | DSWPRMYGLZQURA-WTGUMLROSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H40O2 |
| Molecular Weight | 312.50 g/mol |
| Exact Mass | 312.302830514 g/mol |
| Topological Polar Surface Area (TPSA) | 32.80 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of [(2R,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol](https://plantaedb.com/storage/docs/compounds/2023/11/2r3s-3-methyl-3-4r8r-4812-trimethyltridecyloxiran-2-ylmethanol.jpg "2D Structure of [(2R,3S)-3-methyl-3-[(4R,8R)-4,8,12-trimethyltridecyl]oxiran-2-yl]methanol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.56% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.46% | 91.11% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 91.81% | 97.79% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.22% | 97.29% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.53% | 97.09% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.37% | 89.63% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.02% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.97% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.88% | 98.95% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.64% | 93.56% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 84.56% | 98.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 84.52% | 96.61% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.54% | 96.47% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 82.88% | 98.03% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.52% | 92.88% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 81.47% | 90.17% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 81.38% | 94.66% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.82% | 95.93% |
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.
| Nepeta teydea |
| Sophora mollis |
| PubChem | 15917607 |
| LOTUS | LTS0107491 |
| wikiData | Q104988069 |