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CHEBI:67479 - lamesticumin F

Default Structure
ChEBI IDCHEBI:67479
ChEBI Namelamesticumin F
Stars
DefinitionA triterpenoid of the class of onoceranoid-type terpenoids isolated from the twigs of Lansium domesticum.
Last Modified23 September 2018
DownloadsMolfile
FormulaC30H50O3
Net Charge0
Average Mass458.727
Monoisotopic Mass458.37600
SMILES[H][C@@]12CC=C(C)[C@H](CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)[C@@]1(C)CCC(=O)C2(C)C
InChIInChI=1S/C30H50O3/c1-21(11-9-12-22(2)15-18-27(32)29(6,7)33)13-10-14-24-23(3)16-17-25-28(4,5)26(31)19-20-30(24,25)8/h12-13,16,24-25,27,32-33H,9-11,14-15,17-20H2,1-8H3/b21-13+,22-12+/t24-,25-,27+,30+/m0/s1
InChIKeyRYDUWPYFQUMUJP-JAKYJIPASA-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:
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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
ChEBI Ontology
Outgoing Relation(s)
lamesticumin F (CHEBI:67479) has role antibacterial agent (CHEBI:33282)
lamesticumin F (CHEBI:67479) has role metabolite (CHEBI:25212)
lamesticumin F (CHEBI:67479) has role plant metabolite (CHEBI:76924)
lamesticumin F (CHEBI:67479) is a cyclic terpene ketone (CHEBI:36130)
lamesticumin F (CHEBI:67479) is a diol (CHEBI:23824)
lamesticumin F (CHEBI:67479) is a hexahydronaphthalenes (CHEBI:142348)
lamesticumin F (CHEBI:67479) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4aR,5S,8aR)-5-[(3E,7E,11R)-11,12-dihydroxy-4,8,12-trimethyltrideca-3,7-dien-1-yl]-1,1,4a,6-tetramethyl-3,4,4a,5,8,8a-hexahydronaphthalen-2(1H)-one
Registry NumbersSources
Reaxys:21534276Reaxys
Citations