General
Preferred name
GAMMA-THUJAPLICIN
Synonyms
2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one ()
P&D ID
PD011916
CAS
672-76-4
Tags
drug candidate
natural product
Drug indication
Discovery agent
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
DrugMAP
NIH Mechanistic Set
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
164.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
1.88
TPSA
37.3
Fraction CSP3
0.3
Chiral centers
0.0
Largest ring
7.0
QED
0.69
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
