General
Preferred name
Desmethylglycitein
Synonyms
6,7,4'-Trihydroxyisoflavone ()
4',6,7-Trihydroxyisoflavone ()
P&D ID
PD125203
CAS
17817-31-1
Tags
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.58
TPSA
90.9
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Cytoskeletal Signaling
Cell Cycle/DNA Damage
Epigenetics
PI3K/Akt/mTOR
TGF-beta/Smad
Target
CDK1
CDK2
PKC
CDK
PI3K
Source data
