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CHEBI:81116 - methylophiopogonone B

ChEBI IDCHEBI:81116
ChEBI Namemethylophiopogonone B
Stars
DefinitionA homoisoflavonoid that is 4H-1-benzopyran-4-one substituted by hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a (4-methoxyphenyl)methyl group at position 3 respectively.
Last Modified12 June 2015
DownloadsMolfile
FormulaC19H18O5
Net Charge0
Average Mass326.348
Monoisotopic Mass326.11542
SMILESCOc1ccc(Cc2coc3c(C)c(O)c(C)c(O)c3c2=O)cc1
InChIInChI=1S/C19H18O5/c1-10-16(20)11(2)19-15(17(10)21)18(22)13(9-24-19)8-12-4-6-14(23-3)7-5-12/h4-7,9,20-21H,8H2,1-3H3
InChIKeyBUTFXZVBLOLETI-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ophiopogon japonicus (ncbitaxon:100506) - Article (Studies on the liposoluble components from tuber of {\sl Ophiopogon japonicus} Zhongguo yao xue za zhi (Zhongguo yao xue hui : 1989) 40, 337-341)
Roles Classification
Biological Role:
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)
methylophiopogonone B (CHEBI:81116) has role plant metabolite (CHEBI:76924)
methylophiopogonone B (CHEBI:81116) is a homoisoflavonoid (CHEBI:86008)
methylophiopogonone B (CHEBI:81116) is a monomethoxybenzene (CHEBI:25235)
methylophiopogonone B (CHEBI:81116) is a resorcinols (CHEBI:33572)
IUPAC Name 
5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-4H-1-benzopyran-4-one
Manual XrefsDatabases
C17474KEGG COMPOUND
Registry NumbersSources
Reaxys:5605476Reaxys
Citations