General
Preferred name
PD098532
Synonyms
9-Methoxycanthin-6-one ()
P&D ID
PD098532
CAS
74991-91-6
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity, inhibits LPS-induced TNF-¦Á and IL-1¦Â[1][2][3].
PRICE 163
DESCRIPTION 9-Methoxycanthin-6-one has anti-tumour activity, exhibits cytotoxic activity towards KB, LU-1, LNCaP, HL-60 cancer cells and other human cancer cell lines with IC50 values around 1-4 ??g/mL.
DESCRIPTION 9-Methoxycanthin-6-one has anti-tumour activity, exhibits cytotoxic activity towards KB, LU-1, LNCaP, HL-60 cancer cells and other human cancer cell lines with IC50 values around 1-4 μg/mL. (TargetMol Bioactive Compound Library)
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-112642
Selleckchem Bioactive Compound Library
9-methoxycanthin-6-one
TargetMol Bioactive Compound Library
T4601
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
250.07
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
4
cLogP
2.45
TPSA
43.6
Fraction CSP3
0.07
Chiral centers
0.0
Largest ring
6.0
QED
0.52
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Phosphodiesterase (PDE)
TNF Receptor
Source data