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CHEBI:67484 - methyl lansiolate

ChEBI IDCHEBI:67484
ChEBI Namemethyl lansiolate
Stars
DefinitionA triterpenoid that is the methyl ester of lansiolic acid. It has been isolated from the twigs of Lansium domesticum.
Last Modified6 March 2015
DownloadsMolfile
FormulaC31H50O3
Net Charge0
Average Mass470.738
Monoisotopic Mass470.37600
SMILES[H][C@@]12CCC(=C)[C@H](CC[C@H]3C(C)=CC[C@@H](C(=C)C)[C@]3(C)CCC(=O)OC)[C@@]1(C)CC[C@H](O)C2(C)C
InChIInChI=1S/C31H50O3/c1-20(2)23-12-10-21(3)24(30(23,7)19-17-28(33)34-9)13-14-25-22(4)11-15-26-29(5,6)27(32)16-18-31(25,26)8/h10,23-27,32H,1,4,11-19H2,2-3,5-9H3/t23-,24-,25-,26-,27-,30-,31+/m0/s1
InChIKeyUCRMFRXIRGKEPT-NGVCODNXSA-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:
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)
methyl lansiolate (CHEBI:67484) has functional parent lansiolic acid (CHEBI:67483)
methyl lansiolate (CHEBI:67484) has role antibacterial agent (CHEBI:33282)
methyl lansiolate (CHEBI:67484) has role plant metabolite (CHEBI:76924)
methyl lansiolate (CHEBI:67484) is a methyl ester (CHEBI:25248)
methyl lansiolate (CHEBI:67484) is a secondary alcohol (CHEBI:35681)
methyl lansiolate (CHEBI:67484) is a triterpenoid (CHEBI:36615)
IUPAC Name 
methyl 3-[(1S,2S,6S)-2-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethyl-6-(prop-1-en-2-yl)cyclohex-3-en-1-yl]propanoate
Registry NumbersSources
Reaxys:4724977Reaxys
Citations