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CHEBI:7005 - morusin

ChEBI IDCHEBI:7005
ChEBI Namemorusin
Stars
DefinitionAn extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 3 and a 2,2-dimethyl pyran group across positions 7 and 8.
Last Modified16 March 2015
DownloadsMolfile
FormulaC25H24O6
Net Charge0
Average Mass420.461
Monoisotopic Mass420.15729
SMILESCC(C)=CCc1c(-c2ccc(O)cc2O)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3
InChIInChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKeyXFFOMNJIDRDDLQ-UHFFFAOYSA-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.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
morusin (CHEBI:7005) has role antineoplastic agent (CHEBI:35610)
morusin (CHEBI:7005) has role plant metabolite (CHEBI:76924)
morusin (CHEBI:7005) is a extended flavonoid (CHEBI:71037)
morusin (CHEBI:7005) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one
Manual XrefsDatabases
C10106KEGG COMPOUND
C00001070KNApSAcK
HMDB0036631HMDB
Registry NumbersSources
Reaxys:1442330Reaxys
CAS:62596-29-6KEGG COMPOUND
CAS:62596-29-6ChemIDplus
Citations