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CHEBI:16226 - limonin

Default Structure
ChEBI IDCHEBI:16226
ChEBI Namelimonin
Stars
Secondary ChEBI IDsCHEBI:6467, CHEBI:14509, CHEBI:14511, CHEBI:25042
Last Modified8 July 2015
DownloadsMolfile
FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
SMILES[H][C@]12CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)O[C@@]3([H])CC(=O)OC[C@@]213
InChIInChI=1S/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKeyKBDSLGBFQAGHBE-MSGMIQHVSA-N
Wikipedia
Roles Classification
Biological Roles:
inhibitor  A substance that diminishes the rate of a chemical reaction.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
ChEBI Ontology
Outgoing Relation(s)
limonin (CHEBI:16226) has role inhibitor (CHEBI:35222)
limonin (CHEBI:16226) has role metabolite (CHEBI:25212)
limonin (CHEBI:16226) has role volatile oil component (CHEBI:27311)
limonin (CHEBI:16226) is a epoxide (CHEBI:32955)
limonin (CHEBI:16226) is a furans (CHEBI:24129)
limonin (CHEBI:16226) is a hexacyclic triterpenoid (CHEBI:70994)
limonin (CHEBI:16226) is a lactone (CHEBI:25000)
limonin (CHEBI:16226) is a limonoid (CHEBI:39434)
limonin (CHEBI:16226) is a organic heterohexacyclic compound (CHEBI:51914)
Incoming Relation(s)
deoxylimonoic acid (CHEBI:17133) has functional parent limonin (CHEBI:16226)
limonin 17-β-D-glucoside (CHEBI:16063) has functional parent limonin (CHEBI:16226)
IUPAC Name 
(4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione
Synonyms  Source
7,16-Dioxo-7,16-dideoxylimondiolChemIDplus
CitrolimoninChemIDplus
DictamnolactoneChemIDplus
EvodinKEGG COMPOUND
LimoninKEGG COMPOUND
Limonoate D-ring-lactoneKEGG COMPOUND
Brand Name  Source
Evodia fruitKEGG DRUG
UniProt Name  Source
limoninUniProt
Manual XrefsDatabases
C00003719KNApSAcK
C03514KEGG COMPOUND
C16717KEGG COMPOUND
D00173KEGG DRUG
LimoninWikipedia
Registry NumbersSources
CAS:1180-71-8ChemIDplus
CAS:1180-71-8KEGG COMPOUND
Citations