CHEBI:9402 - taraxerol

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ChEBI Name taraxerol
ChEBI ID CHEBI:9402
Definition A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an α-methyl substituent at position 13 and a double bond between positions 14 and 15.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C30H50O
Net Charge 0
Average Mass 426.71740
Monoisotopic Mass 426.386
InChI InChI=1S/C30H50O/c1-25(2)17-18-27(5)13-9-21-29(7)14-10-20-26(3,4)24(31)12-16-28(20,6)22(29)11-15-30(21,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3/t20-,22+,23+,24-,27-,28-,29-,30+/m0/s1
InChIKey GGGUGZHBAOMSFJ-GADYQYKKSA-N
SMILES [H][C@@]12CC[C@@]3(C)C4=CC[C@@]5(C)CCC(C)(C)C[C@@]5([H])[C@]4(C)CC[C@]3([H])[C@@]1(C)CC[C@H](O)C2(C)C
Metabolite of Species Details
Cupania cinerea (NCBI:txid298314) Found in bark (BTO:0001301). Crude n-hexane extract of dried and powdered bark See: PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing taraxerol (CHEBI:9402) has role metabolite (CHEBI:25212)
taraxerol (CHEBI:9402) is a pentacyclic triterpenoid (CHEBI:25872)
taraxerol (CHEBI:9402) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol
Synonyms Sources
(3β)-D-friedoolean-14-en-3-ol ChEBI
alnulin ChEBI
D-friedoolean-14-en-3β-ol ChemIDplus
skimmiol ChEBI
taraxerol UniProt
tiliadin ChEBI
Manual Xrefs Databases
17803686 MetaCyc
C00003758 KNApSAcK
C08637 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
127-22-0 CAS Registry Number KEGG COMPOUND
127-22-0 CAS Registry Number ChemIDplus
2063451 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17803686 PubMed citation Europe PMC
17994532 PubMed citation Europe PMC
Last Modified
28 July 2014