General
Preferred name
ETHYL CINNAMATE
Synonyms
(E)-Ethyl cinnamate ()
P&D ID
PD158441
CAS
4192-77-2
103-36-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION (E)-Ethyl cinnamate can be isolated from davana oil[1].
DESCRIPTION Ethyl cinnamate, an orally active chemical constituent of the rhizome of Kaempferia galanga, exhibits anti-cancer, nematocidal, sedative and vasorelaxant activities. Ethyl cinnamate is a fragrance ingredient used as a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues. Ethyl cinnamate suppresses tumor growth through anti-angiogenesis by attenuating VEGFR2 signal pathway in colorectal cancer. Ethyl cinnamate inhibits the tonic contractions induced by high K+ and phenylephrine (PE) with respective IC50 values of 0.30 mM and 0.38 mM in rat aorta[1][2][3][4].
PRICE 106
DESCRIPTION (E)-Ethyl cinnamate is a volatile substance isolated from Spondias mombin Linn., used in various industries.
PRICE 29
DESCRIPTION Ethyl cinnamate has antifungal, and vasorelaxant effects. Ethyl cinnamate can lead to the damage of cell membrane system and metabolic disorder through inducing lipid peroxidation via initiating ROS overproduction. Ethyl cinnamate can inhibit the tonic contractions induced by high K+ and phenylephrine (PE) in a concentration-dependent manner, with respective IC50 values of 0.30 mM and 0.38 mM. (TargetMol Bioactive Compound Library)
Cell lines
4
Organisms
0
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-W236273
HY-Y0121
Selleckchem Bioactive Compound Library
ethyl-cinnamate
TargetMol Bioactive Compound Library
TN1624
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
176.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
1
Aromatic Ring Count
1
cLogP
2.26
TPSA
26.3
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Calcium Channel
NO Synthase
ROS
Drug isomer
Apoptosis
Parasite
VEGFR
Pathway
Immunology/Inflammation
Membrane Transporter/Ion Channel
Metabolism
Anti-infection
Protein Tyrosine Kinase/RTK
Source data