CHEBI:67473 - lamesticumin A

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ChEBI Name lamesticumin A
ChEBI ID CHEBI:67473
Definition A triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C31H50O5
Net Charge 0
Average Mass 502.72570
Monoisotopic Mass 502.36582
InChI InChI=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
InChIKey WWMHSLBXALTJEY-YTASFOGUSA-N
SMILES COC(=O)CC[C@]1(C)[C@@H](CC[C@H]2C(C)=CC[C@@H](C(C)=C)[C@]2(C)CCC(O)=O)C(=C)CC[C@H]1C(C)(C)O
Metabolite of Species Details
Lansium domesticum (NCBI:txid201017) Found in twig (BTO:0001411). 95% ethanolic extract of air-dried and powdered twigs See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
21534282 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21401117 PubMed citation Europe PMC
Last Modified
30 March 2015