General
Preferred name
ECDYSONE
Synonyms
α-Ecdysone ()
.alpha.-Ecdysone ()
P&D ID
PD015527
CAS
3604-87-3
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
0
Organisms
1
Compound Sets
4
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
NURSA ligand set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
464.31
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
5
Rotatable Bonds
5
Ring Count
4
Aromatic Ring Count
0
cLogP
2.74
TPSA
118.22
Fraction CSP3
0.89
Chiral centers
10.0
Largest ring
6.0
QED
0.43
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
