Matsutoic acid
| Internal ID | 0caa258a-0a3b-467f-8d98-de23164c0ce6 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones |
| IUPAC Name | 3-[(1R,2R)-2-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-1-methyl-5-oxocyclopentyl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H30O3/c1-12(2)13(3)6-7-14(4)15-8-9-16(19)18(15,5)11-10-17(20)21/h6-7,12-15H,8-11H2,1-5H3,(H,20,21)/b7-6+/t13-,14+,15+,18+/m0/s1 |
| InChI Key | GTKVZLUPHRHIRN-QBCCFSIISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H30O3 |
| Molecular Weight | 294.40 g/mol |
| Exact Mass | 294.21949481 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 3.80 |
| 3-((1R,2R)-2-((E,2R,5R)-5,6-dimethylhept-3-en-2-yl)-1-methyl-5-oxocyclopentyl)propanoic acid |
| 3-[(1R,2R)-2-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-1-methyl-5-oxocyclopentyl]propanoic acid |
| RefChem:155983 |
| SCHEMBL29872798 |
| CHEBI:218837 |
| 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 | 97.29% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.24% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.71% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.53% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.06% | 95.56% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.37% | 83.57% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.25% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.98% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.77% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.01% | 97.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.46% | 93.56% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.80% | 96.47% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.55% | 90.17% |
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.
| There are no matching plants. |
| PubChem | 139591400 |
| LOTUS | LTS0056097 |
| wikiData | Q105018958 |