General
Preferred name
CHAULMOOGRIC ACID
Synonyms
P&D ID
PD001964
CAS
502-30-7
Tags
natural product
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
16
Properties
(calculated by RDKit )
Molecular Weight
280.24
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
13
Ring Count
1
Aromatic Ring Count
0
cLogP
5.72
TPSA
37.3
Fraction CSP3
0.83
Chiral centers
1.0
Largest ring
5.0
QED
0.35
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
