General
Preferred name
KUROMANIN
Synonyms
Cyanidin 3-O-glucoside chloride ()
Chrysontemin ()
Chrysontemin chloride ()
Glucocyanidin chloride ()
Kuromanin chloride ()
Kuromanin (chloride) ()
Cyanidin-3-glucoside ()
Cyanidin 3-O-glucoside (chloride) ()
P&D ID
PD062695
CAS
7084-24-4
Tags
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 ]]
Cell lines
2
Organisms
0
Compound Sets
5
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
449.11
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
8
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
3
cLogP
0.38
TPSA
191.6
Fraction CSP3
0.29
Chiral centers
5.0
Largest ring
6.0
QED
0.2
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
NF-??b
Immunology/Inflammation
Target
NF-??B
CD38
MOA
ribosyl cyclase inhibitor
Source data
