General
Preferred name
APIOLE
Synonyms
NSC 9070 ()
NSC9070 ()
NSC-9070 ()
APIOL ()
P&D ID
PD002543
CAS
523-80-8
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)
PRICE
246
DESCRIPTION
Apiole (NSC 9070), a phenylpropane volatile compound isolated from parsley, is a calcium channel inhibitor, a mixed-type inhibitor of the CYP1A subfamily, with antitumor activity, induces apoptosis, and inhibits human colon cancer cells by inducing G0/G1 cell cycle arrest.
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
26
Molecular Weight
222.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
2.16
TPSA
36.92
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.73
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Apoptosis
Source data
