General
Preferred name
Brassicasterol
Synonyms
P&D ID
PD061144
CAS
474-67-9
Tags
available
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
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
398.35
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
0
cLogP
7.41
TPSA
20.23
Fraction CSP3
0.86
Chiral centers
9.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Vitamin D Related/Nuclear Receptor
Target
Androgen Receptor
Bacterial
Drug Metabolite
HSV
Source data
