General
Preferred name
CIANIDANOL
Synonyms
CIANIDANOL [+-catechin] ()
(+)-Catechin Hydrate ()
Catechuic acid ()
(+)-Catechin ()
CATECHIN ()
Catechinic acid ()
D-Catechin ()
(??)-Catechin hydrate ()
Epicatechin-(-) ()
Catechuic acid(+)-Catechin ()
rel-Cianidanol ()
rel-Catechuic acid ()
(±)-Catechin ()
Cianidanol, Catechinic acid, Catechuic acid, Catechin ()
D-catechol ()
Catergen ()
NSC-2819 ()
CIANIDOL ()
Catechin, d- ()
Cianidanol ()
(+)-Catechin (hydrate) ()
(?)-Catechin (hydrate) ()
P&D ID
PD002153
CAS
154-23-4
7295-85-4
100786-01-4
88191-48-4
225937-10-0
Tags
available
nuisance
natural product
drug
Approved by
FDA
Drug indication
Discovery agent
Drug Status
approved
withdrawn
Max Phase
4.0
First approval
1977
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 Catechin is a plant-derived flavonoid (from Acacia catechu, and cacao, grapes and tea plants). This entry represents the 2R,3S diastereoisomer, but 3 others are possible given that the molecule has two chiral centers. Catechin has relatively low antioxidant properties compared to other flavonoids. (GtoPdb)
DESCRIPTION Antioxidant; free radical scavenger (LOPAC library)
Cell lines
0
Organisms
3
Compound Sets
20
AdooQ Bioactive Compound Library
A12029
Cayman Chemical Bioactives
70940
29175
ChEMBL Approved Drugs
CHEMBL311498
ChEMBL Drugs
CHEMBL311498
Drug Repurposing Hub
DrugBank
DB14086
DrugBank Approved Drugs
DB14086
DrugCentral
629
DrugCentral Approved Drugs
629
DrugMAP
DMY38SB
Guide to Pharmacology
13091
LOPAC library
MedChem Express Bioactive Compound Library
HY-B1890
HY-N0898
HY-N0355
NPC Screening Collection
Nuisance compounds in cellular assays
ReFrame library
Selleckchem Bioactive Compound Library
catechin
catechin-hydrate
TargetMol Bioactive Compound Library
T0822
T8255
The Spectrum Collection
Withdrawn 2.0
w168
External IDs
76
Properties
(calculated by RDKit )
Molecular Weight
290.08
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
2
cLogP
1.55
TPSA
110.38
Fraction CSP3
0.2
Chiral centers
2.0
Largest ring
6.0
QED
0.51
Structural alerts
1
Nonspecific/NOS
IMP
Nuisance compounds
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Antioxidant
Pathway
Immunology/Inflammation
Neuroscience
Anti-infection
Apoptosis
Metabolic Enzyme/Protease
Target
COX-1
COX-2
ROS
PTGS1
COX
Endogenous Metabolite
Influenza Virus
antioxidant
MOA
Fatty Acid Synthase inhibitor
ATC
C
Toxicity type
hematological
Source data