CHEBI:6147 - kuwanone H

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ChEBI Name kuwanone H
ChEBI ID CHEBI:6147
Definition A tetrahydroxyflavone isolated from the plant species of the genus Morus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C45H44O11
Net Charge 0
Average Mass 760.82430
Monoisotopic Mass 760.28836
InChI InChI=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
InChIKey DKBPTKFKCCNXNH-QXGWMLRCSA-N
SMILES CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](CC(C)=C[C@@H]2c2c(O)cc(O)c3c2oc(c(CC=C(C)C)c3=O)-c2ccc(O)cc2O)c2ccc(O)cc2O)c1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 H KEGG COMPOUND
Manual Xrefs Databases
C00001064 KNApSAcK
C10100 KEGG COMPOUND
HMDB0030075 HMDB
View more database links
Registry Numbers Types Sources
4640803 Reaxys Registry Number Reaxys
76472-87-2 CAS Registry Number KEGG COMPOUND
76472-87-2 CAS Registry Number ChemIDplus
Last Modified
16 March 2015