EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:67476 - lamesticumin C

ChEBI IDCHEBI:67476
ChEBI Namelamesticumin C
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@@]12CC(=O)C(C)=C(CC[C@H]3C(=C)CC[C@@]4([H])C(C)(C)[C@@H](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/h20,23-25,32H,1,9-17H2,2-8H3/t20-,23-,24-,25-,29+,30+/m0/s1
InChIKeyDJHULNDUQFBXME-DVMOUVJLSA-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.
ChEBI Ontology
Outgoing Relation(s)
lamesticumin C (CHEBI:67476) has role antibacterial agent (CHEBI:33282)
lamesticumin C (CHEBI:67476) has role plant metabolite (CHEBI:76924)
lamesticumin C (CHEBI:67476) is a cyclic terpene ketone (CHEBI:36130)
lamesticumin C (CHEBI:67476) is a octahydronaphthalenes (CHEBI:138397)
lamesticumin C (CHEBI:67476) is a secondary alcohol (CHEBI:35681)
lamesticumin C (CHEBI:67476) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4aS,8aR)-5-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,1,4a,6-tetramethyl-4,4a,8,8a-tetrahydronaphthalene-2,7(1H,3H)-dione
Registry NumbersSources
Reaxys:21534278Reaxys
Citations