input word = C00007099

Metabolite InformationStructural formula
Name Xanthohumol
Formula C21H22O5
Mw 354.14672381
CAS RN 569-83-5
C_ID C00007099 ,
InChIKey ORXQGKIUCDPEAJ-YRNVUSSQSA-N
InChICode InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
SMILES c1c(ccc(c1)O)/C=C/C(=O)c1c(cc(c(c1O)CC=C(C)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeFabaceaeMedicago sativa Ref.
PlantaeFabaceaeSophora angustifolia Ref.
PlantaeFabaceaeSophora flavescens Ref.
PlantaeSolanaceaeCapsicum annuum Ref.
PlantaeTaxaceaeTaxus chinensis Ref.
PlantaeTaxaceaeTaxus fuana Ref.
PlantaeTaxaceaeTaxus yunnanensis Ref.
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OrganismHumulus lupulus
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 115,Chalcones,dihydrochalcones and aurones

Orth,Liebigs Ann.Chem.,663,(1963),74

Komatsu,Yakugaku Zasshi,90,(1970),463