General
Preferred name
Cyanidin 3-sambubioside
Synonyms
Cyanidin 3-sambubioside (chloride) ()
Cyanidin-3-O-sambubioside (chloride) ()
P&D ID
PD161370
CAS
33012-73-6
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 ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
581.15
Hydrogen Bond Acceptors
14
Hydrogen Bond Donors
10
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
3
cLogP
-1.15
TPSA
250.52
Fraction CSP3
0.42
Chiral centers
9.0
Largest ring
6.0
QED
0.12
QED
0.12
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Anti-infection
Metabolic Enzyme/Protease
Target
Angiotensin-converting Enzyme (ACE)
Influenza Virus
Source data
