General
Preferred name
Patchouli Alcohol
Synonyms
(-)-Patchouli Alcohol ()
Patchoulol ()
Patchouli camphor ()
(-)-Patchouli Alcohol, Patchoulol, Patchouli camphor ()
P&D ID
PD017231
CAS
5986-55-0
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
5
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Pandemic Response Box
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
222.2
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
3.61
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
5.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology/virology
Immunology/Inflammation
Anti-infection
Target
Antifungal
Bacterial
Fungal
Source data
