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CHEBI:81306 - Acetoxolone

Default Structure
ChEBI IDCHEBI:81306
ChEBI NameAcetoxolone
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)O)CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(C)=O)CC[C@]21C
InChIInChI=1S/C32H48O5/c1-19(33)37-24-10-11-30(6)23(27(24,2)3)9-12-32(8)25(30)22(34)17-20-21-18-29(5,26(35)36)14-13-28(21,4)15-16-31(20,32)7/h17,21,23-25H,9-16,18H2,1-8H3,(H,35,36)/t21-,23-,24-,25+,28+,29-,30-,31+,32+/m0/s1
InChIKeyFTQDJVZNPJRVPG-XWEVEMRCSA-N
Roles Classification
Application:
anti-ulcer drug  One of various classes of drugs with different action mechanisms used to treat or ameliorate peptic ulcer or irritation of the gastrointestinal tract.
ChEBI Ontology
Outgoing Relation(s)
Acetoxolone (CHEBI:81306) has role anti-ulcer drug (CHEBI:49201)
Acetoxolone (CHEBI:81306) is a triterpenoid (CHEBI:36615)
Synonyms  Source
AcetoxoloneChEMBL
acetylglycyrrhetic acidDrugCentral
Acetylglycyrrhetinic acidKEGG COMPOUND
DGS 0110AChEMBL
DGS-0110AChEMBL
glycyrrhetic acid acetateDrugCentral
Manual XrefsDatabases
62DrugCentral
C17734KEGG COMPOUND
Registry NumbersSources
CAS:6277-14-1KEGG COMPOUND
Citations