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CHEBI:6147 - kuwanone H

ChEBI IDCHEBI:6147
ChEBI Namekuwanone H
Stars
DefinitionA tetrahydroxyflavone isolated from the plant species of the genus Morus.
Last Modified16 March 2015
DownloadsMolfile
FormulaC45H44O11
Net Charge0
Average Mass760.836
Monoisotopic Mass760.28836
SMILESCC(C)=CCc1c(O)ccc(C(=O)[C@@H]2[C@@H](c3c(O)cc(O)c4c(=O)c(CC=C(C)C)c(-c5ccc(O)cc5O)oc34)C=C(C)C[C@H]2c2ccc(O)cc2O)c1O
InChIInChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1
InChIKeyDKBPTKFKCCNXNH-QXGWMLRCSA-N
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)
kuwanone H (CHEBI:6147) has role plant metabolite (CHEBI:76924)
kuwanone H (CHEBI:6147) is a resorcinols (CHEBI:33572)
kuwanone H (CHEBI:6147) is a tetrahydroxyflavone (CHEBI:38684)
IUPAC Name 
8-{(1R,2S,3S)-2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-2',4'-dihydroxy-5-methyl[1,2,3,6-tetrahydro[1,1'-biphenyl]]-3-yl}-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one
Synonym  Source
Kuwanone HKEGG COMPOUND
Manual XrefsDatabases
C10100KEGG COMPOUND
C00001064KNApSAcK
HMDB0030075HMDB
Registry NumbersSources
Reaxys:4640803Reaxys
CAS:76472-87-2KEGG COMPOUND
CAS:76472-87-2ChemIDplus