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CHEBI:67475 - lamesticumin B

ChEBI IDCHEBI:67475
ChEBI Namelamesticumin B
Stars
DefinitionA triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Last Modified30 March 2015
DownloadsMolfile
FormulaC31H52O4
Net Charge0
Average Mass488.753
Monoisotopic Mass488.38656
SMILES[H][C@@]1(C(C)(C)O)CC=C(C)[C@H](CC[C@H]2C(=C)CC[C@@]3([H])C(C)(C)[C@@H](O)CC[C@]23C)[C@@]1(C)CCC(=O)OC
InChIInChI=1S/C31H52O4/c1-20-10-14-24-28(3,4)26(32)16-18-30(24,7)22(20)12-13-23-21(2)11-15-25(29(5,6)34)31(23,8)19-17-27(33)35-9/h11,22-26,32,34H,1,10,12-19H2,2-9H3/t22-,23-,24-,25-,26-,30+,31+/m0/s1
InChIKeyKYHATJJXUGJUJJ-LUFVGXTESA-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 B (CHEBI:67475) has role antibacterial agent (CHEBI:33282)
lamesticumin B (CHEBI:67475) has role plant metabolite (CHEBI:76924)
lamesticumin B (CHEBI:67475) is a diol (CHEBI:23824)
lamesticumin B (CHEBI:67475) is a methyl ester (CHEBI:25248)
lamesticumin B (CHEBI:67475) is a triterpenoid (CHEBI:36615)
IUPAC Name 
rel-methyl 3-[(1R,2S,6R)-6-(2-hydroxypropan-2-yl)-2-{2-[(1S,4aR,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}-1,3-dimethylcyclohex-3-en-1-yl]propanoate
Registry NumbersSources
Reaxys:21534280Reaxys
Citations