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CHEBI:63460 - parkeol

ChEBI IDCHEBI:63460
ChEBI Nameparkeol
Stars
DefinitionA tetracyclic triterpenoid comprised of a lanostane skeleton which is 3β-hydroxylated and has double bonds at the 9(11)- and 24-positions.
Last Modified5 November 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC30H50O
Net Charge0
Average Mass426.729
Monoisotopic Mass426.38617
SMILES[H][C@@]12CC[C@]3([H])C(=CC[C@@]4(C)[C@@]3(C)CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,15,21-22,24-26,31H,9,11-14,16-19H2,1-8H3/t21-,22-,24-,25+,26+,28-,29-,30+/m1/s1
InChIKeyMLVSYGCURCOSKP-FXCPCPCLSA-N
Species of MetaboliteComponentSourceComments
Rubia yunnanensis (IPNI:765385-1) root (BTO:0001188) PubMed (21973054) Methanolic extract of air dried powdered roots.
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.
ChEBI Ontology
Outgoing Relation(s)
parkeol (CHEBI:63460) has parent hydride lanostane (CHEBI:20265)
parkeol (CHEBI:63460) has role metabolite (CHEBI:25212)
parkeol (CHEBI:63460) is a 3β-hydroxy-4,4-dimethylsteroid (CHEBI:143563)
parkeol (CHEBI:63460) is a 3β-sterol (CHEBI:35348)
parkeol (CHEBI:63460) is a tetracyclic triterpenoid (CHEBI:26893)
IUPAC Name 
lanosta-9(11),24-dien-3β-ol
Synonyms  Source
5α-lanosta-9(11),24-dien-3β-olChEBI
4,4,14α-trimethyl-5α-cholesta-9(11),24-dien-3β-olIUPAC
Δ9(11),24-lanostadien-3β-olChEBI
UniProt Name  Source
parkeolUniProt
Manual XrefsDatabases
CN101633913Patent
CPD-13879MetaCyc
Citations