General
Preferred name
SANTONIN
Synonyms
Santonin ()
ALPHA-SANTONIN ()
Semenen ()
??-santonin ()
α-santonin ()
¦Á-santonin ()
.alpha.-santonin ()
Alpha-Santonin ()
Santoninum ()
NSC-4900 ()
P&D ID
PD002010
CAS
481-06-1
Tags
natural product
drug candidate
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Santonin is a natural product that is present in Artemisia sp. plants (Artemisia spicigera, Artemisia diffusa)
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
8
Cayman Chemical Bioactives
ChEMBL Drugs
Concise Guide to Pharmacology 2023/24
Guide to Pharmacology
MedChem Express Bioactive Compound Library
ReFrame library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
246.13
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
3
Aromatic Ring Count
0
cLogP
2.42
TPSA
43.37
Fraction CSP3
0.6
Chiral centers
4.0
Largest ring
6.0
QED
0.62
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Antiparasitic
Parasite
Pathway
Anti-infection
Source data
