General
Preferred name
CAFFEIC ACID
Synonyms
3,4-Dihydroxycinnamic Acid ()
trans-Caffeate ()
Trans-caffeic acid ()
Trans-3,4-dihydroxycinnamic acid ()
NSC-623438 ()
Cinnamic acid, 3,4-dihydroxy- ()
NSC-57197 ()
2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, (2E)- ()
Caffeic Acid-13C3 ()
P&D ID
PD000777
CAS
331-39-5
71693-97-5
501-16-6
1185245-82-2
Tags
drug candidate
nuisance
natural product
available
Drug indication
Thrombocytopenia
Drug Status
experimental
investigational
Max Phase
Phase 3
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 Antioxidant; inhibits the synthesis of leukotrienes that are involved in immunoregulation and inflammation (LOPAC library)
Cell lines
8
Organisms
6
Compound Sets
19
AdooQ Bioactive Compound Library
A10171
Cayman Chemical Bioactives
70602
23232
23632
ChEMBL Drugs
CHEMBL145
Drug Repurposing Hub
DrugBank
DB01880
DrugMAP
DMVZL26
Enamine BioReference Compounds
EU-OPENSCREEN Bioactive Compound Library
EOS100896
Guide to Pharmacology
5155
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL145
MedChem Express Bioactive Compound Library
HY-N0172
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
Caffeic-acid
TargetMol Bioactive Compound Library
T2807
The Spectrum Collection
ZINC Tool Compounds
ZINC000000058172
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
180.04
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
1.2
TPSA
77.76
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.47
Structural alerts
1
Nonspecific/NOS
IMP
Nuisance compounds in cellular assays
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Antioxidant
Pathway
Membrane Transporter/Ion Channel
Metabolism
Metabolic Enzyme/Protease
Neuronal Signaling
Target
5-Lipoxygenase
Endogenous Metabolite
hTRPA1
ALOX5, MIF
TRP Channel
Lipoxygenase,TRP Channel
MOA
Lipoxygenase
TRP/TRPV Channel
5-Lipoxygenase Inhibitors
HIV Integrase Inhibitors
Antioxidants
HIV integrase inhibitor, lipoxygenase inhibitor, nitric oxide production inhibitor, tumor necrosis factor production inhibitor
Member status
member
Source data