EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81115 - methylophiopogonone A

ChEBI IDCHEBI:81115
ChEBI Namemethylophiopogonone A
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 (2H-1,3-benzodioxol-5-yl)methyl group at position 3 respectively.
Last Modified12 June 2015
DownloadsMolfile
FormulaC19H16O6
Net Charge0
Average Mass340.331
Monoisotopic Mass340.09469
SMILESCc1c(O)c(C)c2occ(Cc3ccc4c(c3)OCO4)c(=O)c2c1O
InChIInChI=1S/C19H16O6/c1-9-16(20)10(2)19-15(17(9)21)18(22)12(7-23-19)5-11-3-4-13-14(6-11)25-8-24-13/h3-4,6-7,20-21H,5,8H2,1-2H3
InChIKeyAUTZLTCWRDPAPV-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 A (CHEBI:81115) has role plant metabolite (CHEBI:76924)
methylophiopogonone A (CHEBI:81115) is a homoisoflavonoid (CHEBI:86008)
methylophiopogonone A (CHEBI:81115) is a resorcinols (CHEBI:33572)
IUPAC Name 
3-[(2H-1,3-benzodioxol-5-yl)methyl]-5,7-dihydroxy-6,8-dimethyl-4H-1-benzopyran-4-one
Manual XrefsDatabases
C17473KEGG COMPOUND
Registry NumbersSources
Reaxys:5769897Reaxys
Citations