General
Preferred name
Humulone
Synonyms
α-Lupulic acid ()
P&D ID
PD127787
CAS
23510-81-8
26472-41-3
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
2
MedChem Express Bioactive Compound Library
Novartis Chemogenetic Library (NIBR MoA Box)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
362.21
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
7
Ring Count
1
Aromatic Ring Count
0
cLogP
4.25
TPSA
94.83
Fraction CSP3
0.52
Chiral centers
1.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Antioxidants
AP-1 Inhibitors
Apoptosis Inducers
Cyclooxygenase-2 Inhibitors
NF-kappaB (NFKB) Activation Inhibitors
"Antioxidants
NF-kappaB (NFKB) Activation Inhibitors"
Pathway
Apoptosis
Immunology/Inflammation
Membrane Transporter/Ion Channel
Neuronal Signaling
Target
COX
GABA Receptor
Source data
