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CHEBI:67597 - glochidonol

ChEBI IDCHEBI:67597
ChEBI Nameglochidonol
Stars
DefinitionA pentacyclic triterpenoid that is lup-20(29)-ene substituted by a β-hydroxy group at position 1 and an oxo group at position 3. It has been isolated from Breynia fruticosa.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H48O2
Net Charge0
Average Mass440.712
Monoisotopic Mass440.36543
SMILES[H][C@]12CC[C@@]3([H])[C@@](C)(CC[C@@]4([H])C(C)(C)C(=O)C[C@@H](O)[C@]34C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(=C)C)[C@@]12[H]
InChIInChI=1S/C30H48O2/c1-18(2)19-11-13-27(5)15-16-28(6)20(25(19)27)9-10-22-29(28,7)14-12-21-26(3,4)23(31)17-24(32)30(21,22)8/h19-22,24-25,32H,1,9-17H2,2-8H3/t19-,20+,21-,22-,24+,25+,27+,28+,29+,30-/m0/s1
InChIKeyPOKGESLRCWHPFR-GEWRCSBCSA-N
Species of MetaboliteComponentSourceComments
Breynia fruticosa (ncbitaxon:296042) root (BTO:0001188) PubMed (21428418) 90% Methanolic extract of air-dried, crushed roots.
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
glochidonol (CHEBI:67597) has parent hydride lupane (CHEBI:36485)
glochidonol (CHEBI:67597) has role plant metabolite (CHEBI:76924)
glochidonol (CHEBI:67597) is a cyclic terpene ketone (CHEBI:36130)
glochidonol (CHEBI:67597) is a pentacyclic triterpenoid (CHEBI:25872)
glochidonol (CHEBI:67597) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1β-hydroxylup-20(29)-en-3-one
Registry NumbersSources
Reaxys:6536282Reaxys
Citations