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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:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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