Xanthohumol

CAS Registry Number®

6754-58-1

CAS Name

Xanthohumol

Molecular Formula

C21H22O5

Molecular Mass

354.40

Cite this Page

Xanthohumol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6754-58-1 (retrieved 2024-11-22) (CAS RN: 6754-58-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172 °C

Source(s)

Other Names and Identifiers

InChI

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+

InChIKey

InChIKey=ORXQGKIUCDPEAJ-YRNVUSSQSA-N

SMILES

C(/C=C/C1=CC=C(O)C=C1)(=O)C2=C(OC)C=C(O)C(CC=C(C)C)=C2O

Canonical SMILES

O=C(C=CC1=CC=C(O)C=C1)C=2C(OC)=CC(O)=C(C2O)CC=C(C)C

Other Names for this Substance

  • 2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
  • Xanthohumol
  • 2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (E)-
  • 2-Propen-1-one, 1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl]-3-(4-hydroxyphenyl)-, (2E)-
  • (2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one

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