General
Preferred name
DAPHNORETIN
Synonyms
Thymelol ()
Dephnoretin ()
Dephnoretin, Thymelol ()
NSC-291852 ()
P&D ID
PD087647
CAS
2034-69-7
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 ]]
Cell lines
2
Organisms
0
Compound Sets
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
352.06
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
4
cLogP
3.41
TPSA
99.11
Fraction CSP3
0.05
Chiral centers
0.0
Largest ring
6.0
QED
0.56
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Proteases/Proteasome
Microbiology&virology
Anti-infection
Epigenetics
TGF-beta/Smad
Target
caspase-3
Influenza Virus
PKC
Akt,Apoptosis related,PKC
MOA
Caspase
Source data
