CHEBI:28356 - β-santonin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-santonin
ChEBI ID CHEBI:28356
ChEBI ASCII Name beta-santonin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:22854, CHEBI:10442
Supplier Information
Download Molfile XML SDF
Formula C15H18O3
Net Charge 0
Average Mass 246.30162
Monoisotopic Mass 246.12559
InChI InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1
InChIKey XJHDMGJURBVLLE-OMSPQPPYSA-N
SMILES [H][C@@]12CC[C@@]3(C)C=CC(=O)C(C)=C3[C@@]1([H])OC(=O)[C@@H]2C
Roles Classification
Application(s): anthelminthic drug
Substance intended to kill parasitic worms (helminths).
(via santonin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing β-santonin (CHEBI:28356) is a santonin (CHEBI:26604)
IUPAC Name
(3R,3aS,5aS,9bS)-3,5a,9-trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
Synonym Source
beta-Santonin KEGG COMPOUND
Manual Xrefs Databases
C00003365 KNApSAcK
C09545 KEGG COMPOUND
LMPR0103190004 LIPID MAPS
View more database links
Registry Numbers Types Sources
481-07-2 CAS Registry Number KEGG COMPOUND
481-07-2 CAS Registry Number ChemIDplus
89490 Beilstein Registry Number Beilstein
Last Modified
28 July 2014