Butyl cinnamate
Internal ID | b8ffb0a8-a765-4261-a5f4-7daea759a48f |
Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters |
IUPAC Name | butyl (E)-3-phenylprop-2-enoate |
SMILES (Canonical) | CCCCOC(=O)C=CC1=CC=CC=C1 |
SMILES (Isomeric) | CCCCOC(=O)/C=C/C1=CC=CC=C1 |
InChI | InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+ |
InChI Key | OHHIVLJVBNCSHV-MDZDMXLPSA-N |
Popularity | 108 references in papers |
Molecular Formula | C13H16O2 |
Molecular Weight | 204.26 g/mol |
Exact Mass | 204.115029749 g/mol |
Topological Polar Surface Area (TPSA) | 26.30 Ų |
XlogP | 3.90 |
n-Butyl cinnamate |
538-65-8 |
Eliminoxy |
Butyl (E)-cinnamate |
Cinnamic acid, butyl ester |
(E)-butyl cinnamate |
Cinnamic acid n-butyl ester |
n-Butyl phenylacrylate |
butyl (E)-3-phenylprop-2-enoate |
Butyl 3-phenyl-2-propenoate |
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 |
---|---|---|---|---|
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.63% | 86.33% |
CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.03% | 90.17% |
CHEMBL2581 | P07339 | Cathepsin D | 94.75% | 98.95% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.14% | 96.00% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.73% | 99.17% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.78% | 96.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.64% | 95.56% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 88.20% | 94.62% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.83% | 91.11% |
CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.77% | 91.71% |
CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.20% | 93.56% |
CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 82.20% | 80.78% |
CHEMBL5028 | O14672 | ADAM10 | 80.02% | 97.50% |
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.
Mandragora officinarum |
PubChem | 5273465 |
LOTUS | LTS0141543 |
wikiData | Q27236133 |