General
Preferred name
PSEUDOGUAIANOLIDE
Synonyms
2-Desoxy-4-epi-pulchellin ()
P&D ID
PD158682
CAS
122872-03-1
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 2-Desoxy-4-epi-pulchellin (compound 13) is a compound isolated from dichloromethane-soluble portion of Polygonum hydropiper[1].
PRICE 372
DESCRIPTION 2-Desoxy-4-epi-pulchellin has potent in vitro cytotoxicities against the K562, MCF-7, Hela, DU145, U937, H1975, SGC-7901, A549, MOLT-4, and HL60 cell lines with IC50 values ranging from 0.10 to 46.7uM, while it shows significant antiviral (H1N1 and H3N2) activities, it also displays significant antimycobacterial activity (IC50=7.6 uM). (TargetMol Bioactive Compound Library)
Cell lines
12
Organisms
1
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-N1725
TargetMol Bioactive Compound Library
TN2755
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
250.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
2.29
TPSA
46.53
Fraction CSP3
0.8
Chiral centers
6.0
Largest ring
7.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Anti-infection
Pathway
Microbiology/virology
Source data