General
Preferred name
Terpinyl Acetate
Synonyms
??-?Terpinyl acetate ()
α-?Terpinyl acetate ()
alpha-Terpinyl acetate ()
P&D ID
PD098335
CAS
80-26-2
39427-28-6
7785-54-8
58206-95-4
8007-35-0
Tags
drug candidate
natural product
available
Drug Status
experimental
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
4
DrugBank
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
196.15
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
0
cLogP
3.07
TPSA
26.3
Fraction CSP3
0.75
Chiral centers
1.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Cytochrome P450
Source data
