General
Preferred name
PERILLYL ALCOHOL
Synonyms
Perilla alcohol ()
Isocarveol ()
Perilla alcohol, Isocarveol ()
P&D ID
PD000959
CAS
536-59-4
18457-55-1
1406-56-0
Tags
drug candidate
natural product
available
Drug indication
Solid tumour/cancer
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
7
DrugMAP
DrugMatrix
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
152.12
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
0
cLogP
2.28
TPSA
20.23
Fraction CSP3
0.6
Chiral centers
1.0
Largest ring
6.0
QED
0.6
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Metabolism
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Ras
Source data
