General
Preferred name
Humulene
Synonyms
α-Humulene ()
α-Caryophyllene ()
Alpha-Humulene ()
ALPHA-HUMULONE ()
?-Humulene ()
P&D ID
PD076233
CAS
6753-98-6
Tags
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 ]]
Cell lines
1
Organisms
0
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
21
Properties
(calculated by RDKit )
Molecular Weight
204.19
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
0
cLogP
5.04
TPSA
0.0
Fraction CSP3
0.6
Chiral centers
0.0
Largest ring
11.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Target
COX
NO Synthase
Source data
