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CHEBI:67477 - lamesticumin D

Default Structure
ChEBI IDCHEBI:67477
ChEBI Namelamesticumin D
Stars
DefinitionA triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Last Modified7 September 2017
DownloadsMolfile
FormulaC30H46O3
Net Charge0
Average Mass454.695
Monoisotopic Mass454.34470
SMILES[H][C@@]12C[C@@H](O)C(C)=C(CC[C@H]3C(=C)CC[C@@]4([H])C(C)(C)C(=O)CC[C@]34C)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H46O3/c1-18-9-12-23-27(3,4)25(32)13-15-29(23,7)20(18)10-11-21-19(2)22(31)17-24-28(5,6)26(33)14-16-30(21,24)8/h20,22-24,31H,1,9-17H2,2-8H3/t20-,22+,23-,24-,29+,30+/m0/s1
InChIKeyMGVFDWIGIYHFIO-CKQYGLACSA-N
Species of MetaboliteComponentSourceComments
Lansium domesticum (ncbitaxon:201017) twig (BTO:0001411) PubMed (21401117) 95% ethanolic extract of air-dried and powdered twigs
Roles Classification
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
lamesticumin D (CHEBI:67477) has role antibacterial agent (CHEBI:33282)
lamesticumin D (CHEBI:67477) has role metabolite (CHEBI:25212)
lamesticumin D (CHEBI:67477) has role plant metabolite (CHEBI:76924)
lamesticumin D (CHEBI:67477) is a cyclic terpene ketone (CHEBI:36130)
lamesticumin D (CHEBI:67477) is a octahydronaphthalenes (CHEBI:138397)
lamesticumin D (CHEBI:67477) is a secondary alcohol (CHEBI:35681)
lamesticumin D (CHEBI:67477) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4aS,7R,8aR)-7-hydroxy-1,1,4a,6-tetramethyl-5-{2-[(1S,4aR,8aR)-5,5,8a-trimethyl-2-methylidene-6-oxodecahydronaphthalen-1-yl]ethyl}-3,4,4a,7,8,8a-hexahydronaphthalen-2(1H)-one
Registry NumbersSources
Reaxys:21534279Reaxys
Citations