Isoxanthohumol

CAS Registry Number®

70872-29-6

CAS Name

Isoxanthohumol

Molecular Formula

C21H22O5

Molecular Mass

354.40

Cite this Page

Isoxanthohumol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70872-29-6 (retrieved 2024-11-22) (CAS RN: 70872-29-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    196-208 °C

Source(s)

Other Names and Identifiers

InChI

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-/m0/s1

InChIKey

InChIKey=YKGCBLWILMDSAV-SFHVURJKSA-N

SMILES

C(C=C(C)C)C1=C2C(=C(OC)C=C1O)C(=O)C[C@H](O2)C3=CC=C(O)C=C3

Canonical SMILES

O=C1C=2C(OC)=CC(O)=C(C2OC(C3=CC=C(O)C=C3)C1)CC=C(C)C

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-, (2S)-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-, (S)-
  • 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-, (2S)-
  • (2S)-2,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one
  • Isoxanthohumol

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration