(4-Ethenyl-2,5-dimethylhexa-2,5-dienyl) propanoate
Internal ID | 817059df-597f-4567-a4fb-4a3372e1d3ba |
Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid esters |
IUPAC Name | (4-ethenyl-2,5-dimethylhexa-2,5-dienyl) propanoate |
SMILES (Canonical) | CCC(=O)OCC(=CC(C=C)C(=C)C)C |
SMILES (Isomeric) | CCC(=O)OCC(=CC(C=C)C(=C)C)C |
InChI | InChI=1S/C13H20O2/c1-6-12(10(3)4)8-11(5)9-15-13(14)7-2/h6,8,12H,1,3,7,9H2,2,4-5H3 |
InChI Key | UYACSVLHQPEITQ-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C13H20O2 |
Molecular Weight | 208.30 g/mol |
Exact Mass | 208.146329876 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 4.00 |
There are no found synonyms. |
![2D Structure of (4-Ethenyl-2,5-dimethylhexa-2,5-dienyl) propanoate 2D Structure of (4-Ethenyl-2,5-dimethylhexa-2,5-dienyl) propanoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-ethenyl-25-dimethylhexa-25-dienyl-propanoate.jpg)
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 | 96.27% | 96.09% |
CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.62% | 83.82% |
CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.15% | 97.21% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.10% | 99.17% |
CHEMBL2581 | P07339 | Cathepsin D | 87.33% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.00% | 94.45% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.05% | 96.95% |
CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.23% | 91.19% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.12% | 96.38% |
CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 81.52% | 82.50% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.77% | 91.11% |
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.
Artemisia vulgaris |
PubChem | 163023580 |
LOTUS | LTS0152905 |
wikiData | Q105281241 |