General
Preferred name
APIIN
Synonyms
Apioside ()
Apigenin 7-O-apiosylglucoside ()
Apigenin 7-(2-O-apiosylglucoside) ()
P&D ID
PD002545
CAS
26544-34-3
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 Apiin, a major constituent of Apium graveolens leaves with anti-inflammatory properties. Apiin shows significant inhibitory activity on nitrite (NO) production (IC50 = 0.08 mg/mL) in-vitro and iNOS expression (IC50 = 0.049 mg/ mL) in LPS-activated J774.A1 cells[1].
PRICE 252
DESCRIPTION 1. Apiin (Apioside) is the reducing and stabilizing agent. 2. Apiin has inhibitory activity in-vitro on iNOS expression and nitrite production when added before LPS stimulation in the medium of J774.A1 cells. (TargetMol Bioactive Compound Library)
Compound Sets
5
AdooQ Bioactive Compound Library
A12018
Cayman Chemical Bioactives
34596
MedChem Express Bioactive Compound Library
HY-N0577
Selleckchem Bioactive Compound Library
apiin
TargetMol Bioactive Compound Library
T5S1989
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
564.15
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
8
Rotatable Bonds
7
Ring Count
5
Aromatic Ring Count
3
cLogP
-1.49
TPSA
228.97
Fraction CSP3
0.42
Chiral centers
8.0
Largest ring
6.0
QED
0.16
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
NO Synthase
Aurora Kinase, NOS
Pathway
Immunology/Inflammation
Source data