8-Hydroxy-5-isopropyl-8-methyl-non-6-EN-2-one
| Internal ID | dc96860b-f1ee-4f53-b13b-d50346b7da86 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols |
| IUPAC Name | 8-hydroxy-8-methyl-5-propan-2-ylnon-6-en-2-one |
| SMILES (Canonical) | CC(C)C(CCC(=O)C)C=CC(C)(C)O |
| SMILES (Isomeric) | CC(C)C(CCC(=O)C)C=CC(C)(C)O |
| InChI | InChI=1S/C13H24O2/c1-10(2)12(7-6-11(3)14)8-9-13(4,5)15/h8-10,12,15H,6-7H2,1-5H3 |
| InChI Key | ONFMWCGMHFLYNV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C13H24O2 |
| Molecular Weight | 212.33 g/mol |
| Exact Mass | 212.177630004 g/mol |
| Topological Polar Surface Area (TPSA) | 37.30 Ų |
| XlogP | 2.00 |
| 8-HYDROXY-5-ISOPROPYL-8-METHYL-NON-6-EN-2-ONE |
| DTXSID20709427 |
| ONFMWCGMHFLYNV-UHFFFAOYSA-N |
| 2-hydroxy-5-isopropyl-2-methyl-3-nonen-8-one |
| 8-Hydroxy-8-methyl-5-(propan-2-yl)non-6-en-2-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.39% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.74% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.53% | 96.09% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.32% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.01% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.27% | 94.73% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.26% | 89.34% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.04% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.40% | 93.56% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 81.11% | 97.29% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.78% | 91.11% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.20% | 98.75% |
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.
| Nicotiana tabacum |
| PubChem | 54159176 |
| LOTUS | LTS0048141 |
| wikiData | Q82644359 |