3Z-Hexenylferulate

Details

• Internal ID: e995952a-bcab-4f49-b754-0d6a69e91bf9
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives
• IUPAC Name: [(Z)-hex-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
• InChI: InChI=1S/C16H20O4/c1-3-4-5-6-11-20-16(18)10-8-13-7-9-14(17)15(12-13)19-2/h4-5,7-10,12,17H,3,6,11H2,1-2H3/b5-4-,10-8+
• InChI Key: DQSMLWPDCOLWCU-BTCMVDHLSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₀O₄
• Molecular Weight: 276.33 g/mol
• Exact Mass: 276.13615911 g/mol
• Topological Polar Surface Area (TPSA): 55.80 Ų
• XlogP: 3.60

Synonyms

• 3Z-Hexenyl-cis-ferulate

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1293249	Q13887	Kruppel-like factor 5	97.17%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.08%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.01%	96.09%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	95.95%	96.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	94.19%	99.17%
CHEMBL3194	P02766	Transthyretin	91.88%	90.71%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	88.05%	89.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.05%	95.56%
CHEMBL4208	P20618	Proteasome component C5	84.98%	90.00%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.63%	94.45%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	84.00%	80.78%
CHEMBL1806	P11388	DNA topoisomerase II alpha	83.33%	89.00%

Plants that contains it

• Pteronia paniculata

Cross-Links

• PubChem: 14589009
• LOTUS: LTS0076311
• wikiData: Q104987120