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CHEBI:70122 - (−)-leucophyllone

ChEBI IDCHEBI:70122
ChEBI Name(−)-leucophyllone
Stars
ASCII Name(-)-leucophyllone
DefinitionA tirucallane triterpenoid that is (13α,14β,17α,20S,23E)-lanosta-7,23-diene substituted by an oxo group at position 3 and a methoxy group at position 25. It has been isolated from the stem and stem barks of Cornus walteri.
Last Modified2 October 2014
DownloadsMolfile
FormulaC31H50O2
Net Charge0
Average Mass454.739
Monoisotopic Mass454.38108
SMILES[H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)C/C=C/C(C)(C)OC)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
InChIInChI=1S/C31H50O2/c1-21(11-10-17-27(2,3)33-9)22-14-19-31(8)24-12-13-25-28(4,5)26(32)16-18-29(25,6)23(24)15-20-30(22,31)7/h10,12,17,21-23,25H,11,13-16,18-20H2,1-9H3/b17-10+/t21-,22-,23-,25-,29+,30-,31+/m0/s1
InChIKeyVUTMJNYAUWPTQA-ADMPYRPZSA-N
Species of MetaboliteComponentSourceComments
Cornus walteri (ncbitaxon:16907) stem (BTO:0001300) PubMed (21182258) Previous component: stem bark; 80% Methanolic extract of dried, chopped stems and stem bark
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)
(−)-leucophyllone (CHEBI:70122) has role plant metabolite (CHEBI:76924)
(−)-leucophyllone (CHEBI:70122) is a cyclic terpene ketone (CHEBI:36130)
(−)-leucophyllone (CHEBI:70122) is a ether (CHEBI:25698)
(−)-leucophyllone (CHEBI:70122) is a tirucallane triterpenoid (CHEBI:83211)
IUPAC Name 
(13α,14β,17α,20S,23E)-25-methoxylanosta-7,23-dien-3-one
Registry NumbersSources
Reaxys:7392049Reaxys
Citations