(3E,7E,11S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-11-hydroxy-3,7,11-trimethyltrideca-3,7,12-trien-1-one
| Internal ID | a465e4b9-4598-4080-b2fb-aa038b18a8fd |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (3E,7E,11S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-11-hydroxy-3,7,11-trimethyltrideca-3,7,12-trien-1-one |
| SMILES (Canonical) | CC(=CCCC(C)(C=C)O)CCC=C(C)CC(=O)C1C(O1)(C)C |
| SMILES (Isomeric) | C/C(=C\CC[C@@](C)(C=C)O)/CC/C=C(\C)/CC(=O)[C@@H]1C(O1)(C)C |
| InChI | InChI=1S/C20H32O3/c1-7-20(6,22)13-9-12-15(2)10-8-11-16(3)14-17(21)18-19(4,5)23-18/h7,11-12,18,22H,1,8-10,13-14H2,2-6H3/b15-12+,16-11+/t18-,20-/m1/s1 |
| InChI Key | ZVENUXRGGULVSM-JXZNPPMDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.50 g/mol |
| Exact Mass | 320.23514488 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 4.20 |
| There are no found synonyms. |
![2D Structure of (3E,7E,11S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-11-hydroxy-3,7,11-trimethyltrideca-3,7,12-trien-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/3e7e11s-1-2s-33-dimethyloxiran-2-yl-11-hydroxy-3711-trimethyltrideca-3712-trien-1-one.jpg "2D Structure of (3E,7E,11S)-1-[(2S)-3,3-dimethyloxiran-2-yl]-11-hydroxy-3,7,11-trimethyltrideca-3,7,12-trien-1-one")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.41% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.95% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.57% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.59% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.10% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 87.37% | 96.47% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.82% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.54% | 99.17% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 83.85% | 90.93% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.70% | 96.95% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.86% | 96.90% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.05% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.73% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.69% | 95.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.43% | 89.34% |
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.
| Geigeria burkei |
| PubChem | 162908019 |
| LOTUS | LTS0210832 |
| wikiData | Q105384240 |