General
Preferred name
DAIDZEIN
Synonyms
ISOFLAVONE ()
Daidzein (Izoflavon) ()
Daidzein-d4 ()
4',7-dihydroxyisoflavone ()
P&D ID
PD002203
CAS
486-66-8
1219803-57-2
Tags
available
natural product
drug candidate
probe
Drug indication
Discovery agent
Drug Status
investigational
experimental
Max Phase
2.0
Probe info
Probe type
calculated probe
Probe targets
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 Daidzein is a soy phytoestrogen, which is metabolised to S-equol (PubChem CID 91469), an estrogen-like compound, in the presence of requisite gut flora. Daidzein may have beneficial health effects . (GtoPdb)
DESCRIPTION Arrests cell cycle in G1 phase (Tocriscreen Plus)
DESCRIPTION Isoflavonoid cytostatic agent that arrests the cell cycle at G1; inhibitor of mitochondrial aldehyde dehydrogenase (LOPAC library)
DESCRIPTION Arrests cell cycle in G1 phase (Tocriscreen Total)
DESCRIPTION Lipid mediator, anorexic actions; also GPR55 and PPARalpha agonist (Tocris Bioactive Compound Library)
Cell lines
3
Organisms
1
Compound Sets
20
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugMAP
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
LOPAC library
MedChem Express Bioactive Compound Library
Probe Miner (suitable probes)
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
Tocris Bioactive Compound Library
Tocriscreen Plus
Tocriscreen Total
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
254.06
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.87
TPSA
70.67
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.7
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target Type
Cell Biology
Selectivity
Aldehyde dehydrogenase
Pathway
Metabolism
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
PPAR
ESRRA, ESRRB, ESRRG, TRPC5
Endogenous Metabolite
Primary Target
Cell Cycle Inhibitors
MOA
Estrogen receptor agonist
Source data