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CHEBI:67596 - glochidone

ChEBI IDCHEBI:67596
ChEBI Nameglochidone
Stars
DefinitionA pentacyclic triterpenoid that is lupa-1,20(29)-diene substituted by an oxo group at position 3. It has been isolated from Breynia fruticosa.
Last Modified1 June 2015
DownloadsMolfile
FormulaC30H46O
Net Charge0
Average Mass422.697
Monoisotopic Mass422.35487
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)C=CC(=O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(=C)C)[C@@]12[H]
InChIInChI=1S/C30H46O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h13,15,20-23,25H,1,9-12,14,16-18H2,2-8H3/t20-,21+,22-,23+,25+,27+,28-,29+,30+/m0/s1
InChIKeyFWBYBHVDDGVPDF-BHMAJAPKSA-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)
glochidone (CHEBI:67596) has parent hydride lupane (CHEBI:36485)
glochidone (CHEBI:67596) has role plant metabolite (CHEBI:76924)
glochidone (CHEBI:67596) is a cyclic terpene ketone (CHEBI:36130)
glochidone (CHEBI:67596) is a pentacyclic triterpenoid (CHEBI:25872)
IUPAC Name 
lupa-1,20(29)-dien-3-one
Registry NumbersSources
Reaxys:2341167Reaxys
Citations