3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone
| Internal ID | c2866f6c-2af2-4c20-9e91-b5971a1abe91 |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives > Jasmonic acids |
| IUPAC Name | 2-(3-oxo-2-pent-2-enylcyclopentyl)acetic acid |
| SMILES (Canonical) | CCC=CCC1C(CCC1=O)CC(=O)O |
| SMILES (Isomeric) | CCC=CCC1C(CCC1=O)CC(=O)O |
| InChI | InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15) |
| InChI Key | ZNJFBWYDHIGLCU-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H18O3 |
| Molecular Weight | 210.27 g/mol |
| Exact Mass | 210.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 1.60 |
| (+/-)-Jasmonic acid |
| 3-(Carboxymethyl)-2-(2-pentenyl)cyclopentanone |
| Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)- |
| 77026-92-7 |
| (Z)-2-[3-Oxo-2-(pent-2-en-1-yl)cyclopentyl]acetic Acid |
| DTXSID00859994 |
| CHEBI:182634 |
| SY056485 |
| FT-0604476 |
| FT-0621401 |
| 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 | 93.34% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.77% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.60% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.96% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.34% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.19% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.27% | 97.25% |
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.
| Arabidopsis thaliana |
| Helianthus tuberosus |
| Oryza officinalis |
| Vicia faba |
| PubChem | 557758 |
| LOTUS | LTS0254253 |
| wikiData | Q77423204 |