General
Preferred name
HEDERAGENIN
Synonyms
Caulosapogenin ()
Hederagenol ()
Hederagenic acid ()
Astrantiagenin E ()
Caulosapogenin, Hederagenol, Hederagenic acid, Astrantiagenin E ()
4-Epi-Hederagenin ()
P&D ID
PD078438
CAS
465-99-6
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
14
Organisms
1
Compound Sets
5
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
23
Properties
(calculated by RDKit )
Molecular Weight
472.36
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
2
Ring Count
5
Aromatic Ring Count
0
cLogP
6.21
TPSA
77.76
Fraction CSP3
0.9
Chiral centers
9.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
NF-κB
Target
COX
COX,NF-¦ÊB,NOS
Source data
