(7S,10S)-7-hydroperoxy-10-hydroxy-2,10-dimethyl-6-methylidenedodeca-2,11-dien-4-one
| Internal ID | e8933565-33cc-43e0-be4a-6c23402221ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | (7S,10S)-7-hydroperoxy-10-hydroxy-2,10-dimethyl-6-methylidenedodeca-2,11-dien-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C15H24O4/c1-6-15(5,17)8-7-14(19-18)12(4)10-13(16)9-11(2)3/h6,9,14,17-18H,1,4,7-8,10H2,2-3,5H3/t14-,15+/m0/s1 |
| InChI Key | WIRFHQRSPGKCFP-LSDHHAIUSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C15H24O4 |
| Molecular Weight | 268.35 g/mol |
| Exact Mass | 268.16745924 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.50 |
| 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 | 93.18% | 98.95% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 90.72% | 90.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.58% | 96.09% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 90.46% | 89.34% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.00% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 89.96% | 96.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 89.02% | 96.47% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.88% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.64% | 91.49% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 87.45% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.38% | 99.17% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 84.92% | 97.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 84.63% | 94.33% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 83.45% | 95.71% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.08% | 96.90% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 82.02% | 91.07% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.49% | 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.
| Magnolia kobus |
| Schistostephium crataegifolium |
| PubChem | 162895197 |
| LOTUS | LTS0086017 |
| wikiData | Q105306456 |