General
Preferred name
BENZYL CINNAMATE
Synonyms
Benzylcinnamoate ()
Benzyl 3-phenylpropenoate ()
Cinnamic acid benzyl ester ()
Cinnamein ()
Benzylcinnamate ()
Cinnamein, Benzylcinnamoate, Benzyl 3-phenylpropenoate, Cinnamic acid benzyl ester ()
P&D ID
PD014749
CAS
103-41-3
Tags
available
drug candidate
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 Benzyl cinnamate, occurs in Balsam of Peru and Tolu balsam, in Sumatra and Penang benzoin, and as the main constituent of copaiba balsam, is used in heavy oriental perfumes and as a fixative[1].
PRICE 29
DESCRIPTION Benzyl cinnamate (Benzylcinnamoate) is a natural product isolated from various plant species,with anti-inflammatory activity. (TargetMol Bioactive Compound Library)
Compound Sets
7
DrugMAP
DMD7Z3H
Mcule NIBR MoA Box Subset
MCULE-1664267429
MedChem Express Bioactive Compound Library
HY-N7090
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Selleckchem Bioactive Compound Library
benzyl-cinnamate
TargetMol Bioactive Compound Library
T8145
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
238.1
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
3.44
TPSA
26.3
Fraction CSP3
0.06
Chiral centers
0.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Immunology/Inflammation related
Member status
virtual
MOA
17beta-Hydroxysteroid Dehydrogenase (17beta-HSD) Inhibitors
Pathway
Immunology/Inflammation
Source data