Geranyl (e)-p-coumarate

Details

• Internal ID: 8afdd8a9-c304-48ea-8631-fdd615603451
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Hydroxycinnamic acid esters > Coumaric acid esters
• IUPAC Name: [(2E)-3,7-dimethylocta-2,6-dienyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
• InChI: InChI=1S/C19H24O3/c1-15(2)5-4-6-16(3)13-14-22-19(21)12-9-17-7-10-18(20)11-8-17/h5,7-13,20H,4,6,14H2,1-3H3/b12-9+,16-13+
• InChI Key: YFASDGOQOINOOM-USJAFLQSSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₄O₃
• Molecular Weight: 300.40 g/mol
• Exact Mass: 300.17254462 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 5.20

Synonyms

There are no found synonyms.

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	94.37%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.25%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.23%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.53%	99.17%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.43%	96.00%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	89.59%	93.10%
CHEMBL2581	P07339	Cathepsin D	88.83%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	88.78%	94.73%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.68%	94.45%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	85.33%	92.08%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	83.64%	95.56%

Plants that contains it

• Calocedrus formosana

Cross-Links

• PubChem: 14287143
• LOTUS: LTS0054732
• wikiData: Q105347475