General
Preferred name
SALICIN
Synonyms
D-(?)-Salicin ()
Salicoside ()
Salicine ()
Salicoside,Salicine ()
D(-)-salicin ()
Salicyl alcohol glucoside ()
D-(-)-salicin ()
NSC-5751 ()
Salicinum ()
D-salicin ()
P&D ID
PD001330
CAS
138-52-3
Tags
natural product
drug
available
Drug indication
Analgesia
Drug Status
approved
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 Salicin is a natural product that is present in Salix candida (sageleaf willow) and Populus tremula (Aspen), and it is an E. coli metabolite. (GtoPdb)
Compound Sets
13
AdooQ Bioactive Compound Library
A10820
Cayman Chemical Bioactives
17357
ChEMBL Drugs
CHEMBL462997
Concise Guide to Pharmacology 2023/24
12454
Drug Repurposing Hub
DrugMAP
DM1T2LS
DrugMAP Approved Drugs
DM1T2LS
Guide to Pharmacology
12454
MedChem Express Bioactive Compound Library
HY-N0149
ReFrame library
Selleckchem Bioactive Compound Library
Salicin(Salicoside,-Salicine)
TargetMol Bioactive Compound Library
T0443
The Spectrum Collection
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
286.11
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
5
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
1
cLogP
-1.64
TPSA
119.61
Fraction CSP3
0.54
Chiral centers
5.0
Largest ring
6.0
QED
0.45
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Neuroscience
Metabolic Enzyme/Protease
Target
COX
Endogenous Metabolite
MOA
anti-inflammatory agent
Source data