5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one
| Internal ID | e50b6750-7730-4e42-b418-5425756dbfb1 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 5-hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one |
| SMILES (Canonical) | CCCCCC(CC(=O)CCC1CCC(C(C1)OC)O)O |
| SMILES (Isomeric) | CCCCCC(CC(=O)CCC1CCC(C(C1)OC)O)O |
| InChI | InChI=1S/C17H32O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h13-14,16-18,20H,3-12H2,1-2H3 |
| InChI Key | ONQQLFWDTJJQKU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H32O4 |
| Molecular Weight | 300.40 g/mol |
| Exact Mass | 300.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 2.30 |
| 5-Hydroxy-1-(4-hydroxy-3-methoxycyclohexyl)decan-3-one |
| 5-HYDROXY-1-(4-HYDROXY-3-METHOXY-CYCLOHEXYL)DECAN-3-ONE |
| DTXSID00866683 |
| 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 | 99.13% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.74% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.12% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.82% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.34% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.06% | 91.11% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 91.06% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 90.88% | 95.89% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 90.31% | 100.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 89.55% | 97.29% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.29% | 94.45% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.44% | 100.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.28% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.09% | 93.56% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.79% | 96.61% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.20% | 96.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.96% | 89.63% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 86.87% | 94.33% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 86.40% | 98.03% |
| CHEMBL2664 | P23526 | Adenosylhomocysteinase | 85.64% | 86.67% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.89% | 92.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.62% | 85.94% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 84.08% | 95.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.07% | 96.00% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 82.04% | 91.81% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.04% | 97.79% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.53% | 98.33% |
| CHEMBL256 | P0DMS8 | Adenosine A3 receptor | 81.13% | 95.93% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 81.04% | 92.86% |
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.
| Aframomum melegueta |
| Laurus nobilis |
| Zingiber officinale |
| PubChem | 42675 |
| LOTUS | LTS0255317 |
| wikiData | Q105195036 |