3-Hydroxy-6-methylheptadecanoic acid
| Internal ID | ad6400ab-9d71-4501-bff7-9acb75ab8049 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids |
| IUPAC Name | 3-hydroxy-6-methylheptadecanoic acid |
| SMILES (Canonical) | CCCCCCCCCCCC(C)CCC(CC(=O)O)O |
| SMILES (Isomeric) | CCCCCCCCCCCC(C)CCC(CC(=O)O)O |
| InChI | InChI=1S/C18H36O3/c1-3-4-5-6-7-8-9-10-11-12-16(2)13-14-17(19)15-18(20)21/h16-17,19H,3-15H2,1-2H3,(H,20,21) |
| InChI Key | SCALDTFQKHWBDT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H36O3 |
| Molecular Weight | 300.50 g/mol |
| Exact Mass | 300.26644501 g/mol |
| Topological Polar Surface Area (TPSA) | 57.50 Ų |
| XlogP | 6.60 |
| 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 | 97.54% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 97.44% | 97.29% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.67% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.18% | 99.17% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 90.84% | 92.86% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 90.49% | 93.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.27% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.91% | 90.17% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 89.77% | 100.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.18% | 92.08% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 87.94% | 85.94% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.25% | 100.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 84.59% | 97.06% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.61% | 96.47% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 83.10% | 93.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 82.53% | 89.63% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.83% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.45% | 90.71% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.82% | 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.
| Siphonostegia chinensis |
| PubChem | 163192310 |
| LOTUS | LTS0069878 |
| wikiData | Q105249830 |