EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9401 - taraxasterol

ChEBI IDCHEBI:9401
ChEBI Nametaraxasterol
Stars
DefinitionA pentacyclic triterpenoid that is taraxastane with a β-hydroxy group at position 3.
Last Modified3 August 2014
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4(C)CCC(=C)[C@@H](C)[C@@]43[H])[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C
InChIInChI=1S/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3/t20-,21-,22+,23-,24+,25-,27-,28+,29-,30-/m1/s1
InChIKeyXWMMEBCFHUKHEX-ZJJHUPNDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
taraxasterol (CHEBI:9401) has parent hydride taraxastane (CHEBI:72618)
taraxasterol (CHEBI:9401) has role anti-inflammatory agent (CHEBI:67079)
taraxasterol (CHEBI:9401) has role metabolite (CHEBI:25212)
taraxasterol (CHEBI:9401) is a pentacyclic triterpenoid (CHEBI:25872)
taraxasterol (CHEBI:9401) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(3β,18α,19α)-urs-20(30)-en-3-ol
Synonyms  Source
TaraxasterolKEGG COMPOUND
α-lactucerolHMDB
taraxasterinHMDB
isolactucerolChemIDplus
Manual XrefsDatabases
C08636KEGG COMPOUND
LMPR0106180006LIPID MAPS
CPD-6949MetaCyc
HMDB0035920HMDB
C00003757KNApSAcK
Registry NumbersSources
CAS:1059-14-9KEGG COMPOUND
CAS:1059-14-9ChemIDplus
Citations