General
Preferred name
AMYGDALIN
Synonyms
VITAMIN B17 ()
P&D ID
PD001340
CAS
29883-15-6
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 ]]
Compound Sets
1
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
457.16
Hydrogen Bond Acceptors
12
Hydrogen Bond Donors
7
Rotatable Bonds
7
Ring Count
3
Aromatic Ring Count
1
cLogP
-3.11
TPSA
202.32
Fraction CSP3
0.65
Chiral centers
11.0
Largest ring
6.0
QED
0.22
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
