General
Preferred name
Dehydrocostus lactone
Synonyms
Epiligulyl oxide ()
(-)-Dehydrocostus lactone ()
Epiligulyl oxide(-)-Dehydrocostus lactone ()
Dehydrocostus Lactone ()
DEHYDROCOSTUSLACTONE ()
P&D ID
PD017403
CAS
477-43-0
Tags
covalent binder
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
3
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
CovalentInDB
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
230.13
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
3.02
TPSA
26.3
Fraction CSP3
0.53
Chiral centers
4.0
Largest ring
7.0
QED
0.36
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-??b
NF-¦ÊB
Target
IKK??
IKK¦Â
IKK??
MOA
I¦ÊB/IKK
Source data
