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CHEBI:67473 - lamesticumin A

ChEBI IDCHEBI:67473
ChEBI Namelamesticumin A
Stars
DefinitionA triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Last Modified30 March 2015
DownloadsMolfile
FormulaC31H50O5
Net Charge0
Average Mass502.736
Monoisotopic Mass502.36582
SMILES[H][C@]1(CC[C@H]2C(C)=CC[C@@]([H])(C(=C)C)[C@]2(C)CCC(=O)O)C(=C)CC[C@@]([H])(C(C)(C)O)[C@]1(C)CCC(=O)OC
InChIInChI=1S/C31H50O5/c1-20(2)23-12-10-21(3)24(30(23,7)18-16-27(32)33)13-14-25-22(4)11-15-26(29(5,6)35)31(25,8)19-17-28(34)36-9/h10,23-26,35H,1,4,11-19H2,2-3,5-9H3,(H,32,33)/t23-,24-,25-,26-,30-,31+/m0/s1
InChIKeyWWMHSLBXALTJEY-YTASFOGUSA-N
Species of MetaboliteComponentSourceComments
Lansium domesticum (ncbitaxon:201017) twig (BTO:0001411) PubMed (21401117) 95% ethanolic extract of air-dried and powdered twigs
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
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.
ChEBI Ontology
Outgoing Relation(s)
lamesticumin A (CHEBI:67473) has role antibacterial agent (CHEBI:33282)
lamesticumin A (CHEBI:67473) has role metabolite (CHEBI:25212)
lamesticumin A (CHEBI:67473) has role plant metabolite (CHEBI:76924)
lamesticumin A (CHEBI:67473) is a dicarboxylic acid monoester (CHEBI:36244)
lamesticumin A (CHEBI:67473) is a hydroxy monocarboxylic acid (CHEBI:35868)
lamesticumin A (CHEBI:67473) is a methyl ester (CHEBI:25248)
lamesticumin A (CHEBI:67473) is a tertiary alcohol (CHEBI:26878)
lamesticumin A (CHEBI:67473) is a triterpenoid (CHEBI:36615)
IUPAC Name 
rel-3-[(1S,2S,6S)-2-{2-[(1S,2R,3R)-3-(2-hydroxypropan-2-yl)-2-(3-methoxy-3-oxopropyl)-2-methyl-6-methylidenecyclohexyl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoic acid
Registry NumbersSources
Reaxys:21534282Reaxys
Citations