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CHEBI:2368 - abyssinone V

ChEBI IDCHEBI:2368
ChEBI Nameabyssinone V
Stars
DefinitionA trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7 and 4' and prenyl groups at positions 3' and 5' respectively.
Last Modified5 April 2018
DownloadsMolfile
FormulaC25H28O5
Net Charge0
Average Mass408.494
Monoisotopic Mass408.19367
SMILESCC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O
InChIInChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(10-17(25(16)29)8-6-15(3)4)22-13-21(28)24-20(27)11-19(26)12-23(24)30-22/h5-6,9-12,22,26-27,29H,7-8,13H2,1-4H3/t22-/m0/s1
InChIKeyLQHKFMYWTKORCE-QFIPXVFZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
abyssinone V (CHEBI:2368) has role metabolite (CHEBI:25212)
abyssinone V (CHEBI:2368) is a 4'-hydroxyflavanones (CHEBI:140331)
abyssinone V (CHEBI:2368) is a phenols (CHEBI:33853)
abyssinone V (CHEBI:2368) is a trihydroxyflavanone (CHEBI:38739)
IUPAC Name 
(2S)-5,7-dihydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-4H-chromen-4-one
Synonyms  Source
Abyssinone VKEGG COMPOUND
Abyssinone-VChemIDplus
Manual XrefsDatabases
C09319KEGG COMPOUND
LMPK12140275LIPID MAPS
C00000936KNApSAcK
Registry NumbersSources
CAS:77263-11-7KEGG COMPOUND
CAS:77263-11-7ChemIDplus
Citations