General
Preferred name
alpha-Hederin
Synonyms
??-Hederin ()
Helixin ()
Hederoside C ()
Tauroside E ()
α-Hederin ()
¦Á-Hederin ()
Kalopanaxsaponin A ()
?-Hederin ()
P&D ID
PD078374
CAS
27013-91-8
104748-88-1
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 ]]
Cell lines
9
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
17
Properties
(calculated by RDKit )
Molecular Weight
750.46
Hydrogen Bond Acceptors
11
Hydrogen Bond Donors
7
Rotatable Bonds
6
Ring Count
7
Aromatic Ring Count
0
cLogP
3.52
TPSA
195.6
Fraction CSP3
0.93
Chiral centers
18.0
Largest ring
6.0
QED
0.15
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Source data
