3-Methyl-2-octanol
| Internal ID | 0fbafe34-1ef6-4ae4-8aa8-6a71f2cae6b7 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | 3-methyloctan-2-ol |
| SMILES (Canonical) | CCCCCC(C)C(C)O |
| SMILES (Isomeric) | CCCCCC(C)C(C)O |
| InChI | InChI=1S/C9H20O/c1-4-5-6-7-8(2)9(3)10/h8-10H,4-7H2,1-3H3 |
| InChI Key | WQADSKJNOTZWML-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H20O |
| Molecular Weight | 144.25 g/mol |
| Exact Mass | 144.151415257 g/mol |
| Topological Polar Surface Area (TPSA) | 20.20 Ų |
| XlogP | 3.30 |
| 27644-49-1 |
| DTXSID50337378 |
| 2-Octanol, 3-methyl |
| 2-Octanol, 3-methyl- |
| 3-Methyl-2-octanol # |
| RefChem:1068199 |
| SCHEMBL1658298 |
| SCHEMBL3946026 |
| SCHEMBL5687077 |
| SCHEMBL27576894 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 95.94% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.20% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.04% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.73% | 97.25% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 91.33% | 87.45% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 91.31% | 92.86% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.57% | 85.94% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 88.24% | 93.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 86.51% | 93.31% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.45% | 99.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 84.35% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.40% | 89.63% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.62% | 96.47% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.82% | 91.81% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 81.01% | 90.24% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.70% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.62% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 80.27% | 89.76% |
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.
| Syzygium aromaticum |