Monomethyl azelate
| Internal ID | d6eac0ad-9dbd-4b4f-ae32-9c3e26c88553 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids |
| IUPAC Name | 9-methoxy-9-oxononanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C10H18O4/c1-14-10(13)8-6-4-2-3-5-7-9(11)12/h2-8H2,1H3,(H,11,12) |
| InChI Key | VVWPSAPZUZXYCM-UHFFFAOYSA-N |
| Popularity | 26 references in papers |
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.25 g/mol |
| Exact Mass | 202.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 1.90 |
| Methyl hydrogen azelate |
| 9-Methoxy-9-oxononanoic acid |
| Monomethyl azelate |
| Azelaic acid monomethyl ester |
| mono-Methyl azelate |
| Monomethyl nonanedioate |
| Nonanedioic acid, monomethyl ester |
| 8-Carbomethoxyoctanoic acid |
| 8-Methoxycarbonyloctanoic Acid |
| Azelaic acid, monomethyl ester |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.01% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.31% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.05% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.03% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.29% | 91.11% |
| CHEMBL4374 | Q9Y5X4 | Photoreceptor-specific nuclear receptor | 84.00% | 85.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.87% | 94.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.40% | 91.19% |
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.
| Oryza officinalis |
| PubChem | 75009 |
| LOTUS | LTS0077021 |
| wikiData | Q83045543 |