General
Preferred name
BENZYL CINNAMATE
Synonyms
Cinnamein ()
?Benzylcinnamoate ()
Benzyl 3-phenylpropenoate ()
Cinnamic acid benzyl ester ()
Benzylcinnamate ()
Cinnamein, Benzylcinnamoate, Benzyl 3-phenylpropenoate, Cinnamic acid benzyl ester ()
Benzyl (E)-Cinnamate ()
Benzyltrans Cinnamate ()
P&D ID
PD014749
CAS
103-41-3
Tags
drug candidate
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
7
DrugMAP
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
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
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
Immunology & Inflammation related
Member status
virtual
MOA
17beta-Hydroxysteroid Dehydrogenase (17beta-HSD) Inhibitors
Source data
