xanthohumol

Chemical Formula:

C₂₁H₂₁O₅

Molecular Weight:

353.394 Daltons

Monoisotopic Mass:

354.1467238167 Daltons

SMILES:

CC(=CCC1(C(=CC(OC)=C(C=1O)C(C=CC2(C=CC(=CC=2)O))=O)[O-]))C

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/p-1/b11-7+

InChIKey:

ORXQGKIUCDPEAJ-YRNVUSSQSA-M

Synonyms

2',4,4'-trihydroxy-6'-methoxy-3-prenylchalcone
(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one

Databases

MetaCyc: CPD-7119

ChEBI: 134289

MetaboLights: MTBLC66331

HMDB: HMDB37479

LIPID MAPS: LMPK12120294

PubChem (CID): 25245735

KEGG: C16417

Seed: cpd15123

MetaNetX: MNXM9236