General
Preferred name
ATRACTYLENOLIDE III
Synonyms
8¦Â-Hydroxyasterolide ()
8??-Hydroxyasterolide ()
Icodonolactone ()
8??Hydroxyasterolide ()
8β-Hydroxyasterolide ()
P&D ID
PD052467
CAS
73030-71-4
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Atractylenolide III is a major component of Atractylodes rhizome, which can induce apoptosis of the lung carcinoma cells.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
2
Organisms
0
Compound Sets
5
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
22
Molecular Weight
248.14
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
2.7
TPSA
46.53
Fraction CSP3
0.67
Chiral centers
3.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Target
Apoptosis inducer
Immunology & Inflammation related
Source data
