(Z)-Methyl cinnamate

Details

• Internal ID: 54f410b1-77f1-48f7-92e1-c59e0ac5c4f9
• Taxonomy: Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Cinnamic acid esters
• IUPAC Name: methyl (Z)-3-phenylprop-2-enoate
• SMILES (Canonical): COC(=O)C=CC1=CC=CC=C1
• SMILES (Isomeric): COC(=O)/C=C\C1=CC=CC=C1
• InChI: InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7-
• InChI Key: CCRCUPLGCSFEDV-FPLPWBNLSA-N
• Popularity: 26 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₀O₂
• Molecular Weight: 162.18 g/mol
• Exact Mass: 162.068079557 g/mol
• Topological Polar Surface Area (TPSA): 26.30 Ų
• XlogP: 2.60

Synonyms

• Methyl cis-cinnamate
• Methyl cis-3-phenylacrylate
• cis-Methyl 3-phenyl-2-propenoate
• Methyl (Z)-cinnamate
• Methyl cinnamate, (Z)-
• 19713-73-6
• UNII-C8O8SZU001
• (Z)-Methyl 3-phenylacrylate
• C8O8SZU001
• 2-Propenoic acid, 3-phenyl-, methyl ester, (2Z)-
• (Z)-3-phenyl-2-propenoic acid methyl ester
• cis-methyl cinnamate
• Methyl cinnamate, (E)
• Methyl (2E)-3-phenyl-2-propenoate
• Methyl cinnamate, (Z)
• methyl (Z)-3-phenylacrylate
• cis-cinnamic acid methyl ester
• Methyl ester(e)-Cinnamic acid
• (z)-cinnamic acid methyl ester
• SCHEMBL2425288
• FEMA 2698
• CHEBI:194139
• DTXSID401031262
• Cinnamic acid, methyl ester, (Z)
• Cinnamic acid, methyl ester, cis-
• (Z)-3-phenyl-acrylic acid methyl ester
• (z)-3-phenylpropenoic acid, methyl ester
• CINNAMIC ACID,METHYL ESTER (TRANS)
• 3-Phenyl-methyl ester(E)-2-Propenoic acid
• METHYL (2Z)-3-PHENYLPROP-2-ENOATE
• 3-Phenyl-methyl ester(2E)-2-propenoic acid
• cis-3-phenyl-prop-2-enoic acid methyl ester
• A800700
• methyl (Z)-3-phenylprop-2-enoate;Methyl cinnamate
• Q27275326

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	94.04%	86.33%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	93.62%	96.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.85%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.63%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.13%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	87.82%	90.17%
CHEMBL5028	O14672	ADAM10	83.67%	97.50%
CHEMBL2581	P07339	Cathepsin D	83.54%	98.95%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.77%	95.50%
CHEMBL3401	O75469	Pregnane X receptor	80.97%	94.73%

Plants that contains it

• Artemisia salsoloides

Cross-Links

• PubChem: 6428458
• LOTUS: LTS0070576
• wikiData: Q27275326