Pentyl 2-methylcrotonate
| Internal ID | 1967da6b-a416-465f-932a-b150190d35de |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters |
| IUPAC Name | pentyl (E)-2-methylbut-2-enoate |
| SMILES (Canonical) | CCCCCOC(=O)C(=CC)C |
| SMILES (Isomeric) | CCCCCOC(=O)/C(=C/C)/C |
| InChI | InChI=1S/C10H18O2/c1-4-6-7-8-12-10(11)9(3)5-2/h5H,4,6-8H2,1-3H3/b9-5+ |
| InChI Key | XJWDRSSGOHXOLQ-WEVVVXLNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.25 g/mol |
| Exact Mass | 170.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 26.30 Ų |
| XlogP | 3.10 |
| pentyl (E)-2-methylbut-2-enoate |
| 7785-65-1 |
| Pentyl tiglate |
| Amyl tiglate |
| 2-Butenoic acid, 2-methyl-, pentyl ester, (E)- |
| EINECS 232-085-7 |
| SCHEMBL2418958 |
| SCHEMBL2418959 |
| XJWDRSSGOHXOLQ-WEVVVXLNSA-N |
| DTXSID101301098 |
| 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 | 94.90% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.89% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.83% | 97.25% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 90.38% | 97.29% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.32% | 98.95% |
| CHEMBL2001 | Q9H244 | Purinergic receptor P2Y12 | 87.33% | 96.00% |
| CHEMBL2885 | P07451 | Carbonic anhydrase III | 87.31% | 87.45% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.74% | 89.34% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 85.17% | 85.94% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.56% | 96.95% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.25% | 91.24% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 82.65% | 92.08% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.98% | 94.33% |
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.
| Heracleum dissectum |
| PubChem | 6430805 |
| LOTUS | LTS0102070 |
| wikiData | Q104253584 |