General
Preferred name
PD166603
Synonyms
5-O-Caffeoylshikimic acid ()
P&D ID
PD166603
CAS
73263-62-4
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 5-O-Caffeoylshikimic acid can be used in the study for NSCLC[1][2].
PRICE 328
DESCRIPTION 5-O-Caffeoylshikimic acid shows anti-oxidative activity; it also shows anti-inflammatory activity, the underlying mechanism was associated with downregulation of nuclear factor-??B.
DESCRIPTION 5-O-Caffeoylshikimic acid shows anti-oxidative activity; it also shows anti-inflammatory activity, the underlying mechanism was associated with downregulation of nuclear factor-κB. (TargetMol Bioactive Compound Library)
Compound Sets
2
MedChem Express Bioactive Compound Library
HY-N8321
TargetMol Bioactive Compound Library
TN1295
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
336.08
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
0.16
TPSA
144.52
Fraction CSP3
0.25
Chiral centers
3.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
IL Receptor
NO Synthase
TNF-α
Pathway
Apoptosis
Immunology/Inflammation
Source data