General
Preferred name
Isovitexin
Synonyms
Homovitexin ()
Saponaretin ()
Apigenin-6-C-Glucoside ()
saponaretin, Apigenin-6-C-glucoside ()
P&D ID
PD087770
CAS
38953-85-4
29702-25-8
Tags
natural product
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()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
5
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
25
Properties
(calculated by RDKit )
Molecular Weight
432.11
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
7
Rotatable Bonds
3
Ring Count
4
Aromatic Ring Count
3
cLogP
0.09
TPSA
181.05
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-¦ÊB
Metabolism
MAPK/ERK Pathway
NF-κB
Target
??-glucosidase
NF-??
¦Á-glucosidase
JNK
Immunology & Inflammation related
MOA
Glucokinase
Source data
