methyl (5S,7S)-5,7-dihydroxyoctanoate
| Internal ID | eea02c93-ff70-43a9-b1e5-2738dc225032 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols |
| IUPAC Name | methyl (5S,7S)-5,7-dihydroxyoctanoate |
| SMILES (Canonical) | CC(CC(CCCC(=O)OC)O)O |
| SMILES (Isomeric) | C[C@@H](C[C@H](CCCC(=O)OC)O)O |
| InChI | InChI=1S/C9H18O4/c1-7(10)6-8(11)4-3-5-9(12)13-2/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m0/s1 |
| InChI Key | DVTCUIAUYLJAHZ-YUMQZZPRSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C9H18O4 |
| Molecular Weight | 190.24 g/mol |
| Exact Mass | 190.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 0.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.31% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.54% | 99.17% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.00% | 85.14% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 87.80% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.28% | 91.11% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 86.09% | 100.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.03% | 96.47% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 85.67% | 94.33% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 84.91% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.23% | 96.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 82.64% | 97.29% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.07% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.71% | 93.56% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 80.41% | 95.71% |
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.
| Staphylea japonica |
| PubChem | 11041549 |
| LOTUS | LTS0222705 |
| wikiData | Q104990341 |