General
Preferred name
KERACYANIN
Synonyms
Cyanidin 3-rutinoside (chloride) ()
Cyanidin 3-O-rutinoside (chloride) ()
Sambucin (chloride) ()
Keracyanin (chloride) ()
Cyanidin 3-rhamnoglucoside ()
Meralop ()
Anthocyanin a2 ()
Keracianina ()
KERACYANIN CHLORIDE ()
Meralops ()
Keracyanine ()
Antirrhinin ()
Sambucin ()
Keracyanin ()
Cyanidin-3-rutinoside ()
Keracyanin ion ()
KERACYANIN CATION ()
P&D ID
PD072122
CAS
18719-76-1
1329-47-1
28338-59-2
Tags
available
drug
drug candidate
Drug Status
investigational
approved
Max Phase
2.0
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
6
Cayman Chemical Bioactives
ChEMBL Drugs
DrugCentral
DrugCentral Approved Drugs
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
55
Properties
(calculated by RDKit )
Molecular Weight
595.17
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
10
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
-0.77
TPSA
250.52
Fraction CSP3
0.44
Chiral centers
10.0
Largest ring
6.0
QED
0.12
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
