CHEBI:9401 - taraxasterol

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ChEBI Name taraxasterol
ChEBI ID CHEBI:9401
Definition A pentacyclic triterpenoid that is taraxastane with a β-hydroxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.38617
InChI InChI=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
InChIKey XWMMEBCFHUKHEX-ZJJHUPNDSA-N
SMILES C[C@H]1[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CCC1=C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
α-lactucerol HMDB
isolactucerol ChemIDplus
taraxasterin HMDB
Taraxasterol KEGG COMPOUND
Manual Xrefs Databases
C00003757 KNApSAcK
C08636 KEGG COMPOUND
CPD-6949 MetaCyc
HMDB0035920 HMDB
LMPR0106180006 LIPID MAPS
View more database links
Registry Numbers Types Sources
1059-14-9 CAS Registry Number KEGG COMPOUND
1059-14-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10408235 PubMed citation Europe PMC
15640948 PubMed citation Europe PMC
22366673 PubMed citation Europe PMC
22608078 PubMed citation Europe PMC
23148482 PubMed citation Europe PMC
Last Modified
04 August 2014