General
Preferred name
Lupulone
Synonyms
P&D ID
PD069520
CAS
468-28-0
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 ]]
Cell lines
1
Organisms
0
Compound Sets
1
Cayman Chemical Bioactives
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
16
Properties
(calculated by RDKit )
Molecular Weight
414.28
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
9
Ring Count
1
Aromatic Ring Count
0
cLogP
6.86
TPSA
74.6
Fraction CSP3
0.54
Chiral centers
0.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
