input word = C00008246

Metabolite InformationStructural formula
Name Isoxanthohumol
Isoxanthohumol(Sophora)
Formula C21H22O5
Mw 354.14672381
CAS RN 70872-29-6
C_ID C00008246 ,
InChIKey YKGCBLWILMDSAV-UHFFFAOYNA-N
InChICode InChI=1S/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3/t18-/m1/s1
SMILES c1(cc(c2c(c1CC=C(C)C)O[C@H](CC2=O)c1ccc(cc1)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCannabaceaeHumulus lupulus Ref.
PlantaeFabaceaeSophora angustifolia Ref.
PlantaeFabaceaeSophora flavescens Ref.
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OrganismSophora angustifolia
ReferenceHarborne, The Handbook of Natural Flavonoids, 2, (1999), 353,Flavanones and dihydroflavonols

Verzele,Bull.Soc.Chim.Belg.,103,(1957),1267

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