General
Preferred name
HINOKITIOL
Synonyms
4-Isopropyltropolone ()
??-thujaplicin ()
4-isopropyl Tropolone ()
??Thujaplicin ()
β-thujaplicin ()
¦Â-thujaplicin ()
Hinokitiol, 4-Isopropyltropolone ()
beta-thujaplicin ()
Hinokitiol ()
P&D ID
PD000593
CAS
333760-35-3
499-44-5
Tags
drug candidate
natural product
probe
available
Drug indication
Discovery agent
Probe info
Probe type
calculated probe
Probe sources
Probe targets
[[ compound.targets[t].gene_name ]]
Probe control
Orthogonal probes
13
No orthogonal probes found
Similar probes
2
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 ]]
Cell lines
7
Organisms
0
Compound Sets
10
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
DrugMAP
EU-OPENSCREEN Bioactive Compound Library
MedChem Express Bioactive Compound Library
NIH Mechanistic Set
Probe Miner (suitable probes)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
ZINC Tool Compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
36
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)
Pathway
NF-¦ÊB
Endocrinology/Hormones
NF-??
Anti-infection
Epigenetics
NF-κB
Target
ER??
DNA Methyltransferase
Keap1-Nrf2
Virus Protease
Source data
