(Z)-8-[2-[(E,3S)-3-hydroxyhept-1-enyl]-5-oxocyclopenten-1-yl]oct-6-enoic acid
| Internal ID | 4487b17e-e6bc-401c-aecb-6e85829fb911 |
| Taxonomy | Organic acids and derivatives > Hydroxy acids and derivatives > Medium-chain hydroxy acids and derivatives |
| IUPAC Name | (Z)-8-[2-[(E,3S)-3-hydroxyhept-1-enyl]-5-oxocyclopenten-1-yl]oct-6-enoic acid |
| SMILES (Canonical) | CCCCC(C=CC1=C(C(=O)CC1)CC=CCCCCC(=O)O)O |
| SMILES (Isomeric) | CCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCCC(=O)O)O |
| InChI | InChI=1S/C20H30O4/c1-2-3-9-17(21)14-12-16-13-15-19(22)18(16)10-7-5-4-6-8-11-20(23)24/h5,7,12,14,17,21H,2-4,6,8-11,13,15H2,1H3,(H,23,24)/b7-5-,14-12+/t17-/m0/s1 |
| InChI Key | IROXPWJOFNFEAI-QUYMILOTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H30O4 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 74.60 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of (Z)-8-[2-[(E,3S)-3-hydroxyhept-1-enyl]-5-oxocyclopenten-1-yl]oct-6-enoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/z-8-2-e3s-3-hydroxyhept-1-enyl-5-oxocyclopenten-1-yloct-6-enoic-acid.jpg "2D Structure of (Z)-8-[2-[(E,3S)-3-hydroxyhept-1-enyl]-5-oxocyclopenten-1-yl]oct-6-enoic acid")
| 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 | 99.07% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.94% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.32% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.59% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.27% | 90.17% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 91.25% | 97.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.31% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.54% | 95.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 89.02% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 88.78% | 100.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 88.76% | 89.63% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 88.70% | 96.00% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 83.04% | 96.47% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.79% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 163195144 |
| LOTUS | LTS0068406 |
| wikiData | Q105119001 |