Puerarin

CAS Registry Number®

3681-99-0

CAS Name

Puerarin

Molecular Formula

C21H20O9

Molecular Mass

416.38

Cite this Page

Puerarin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=3681-99-0 (retrieved 2024-11-21) (CAS RN: 3681-99-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    187 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1

InChIKey

InChIKey=HKEAFJYKMMKDOR-VPRICQMDSA-N

SMILES

OC=1C(=C2C(C(=O)C(=CO2)C3=CC=C(O)C=C3)=CC1)[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C1C(=COC=2C1=CC=C(O)C2C3OC(CO)C(O)C(O)C3O)C=4C=CC(O)=CC4

Other Names for this Substance

  • 4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-
  • Puerarin
  • 8-β-D-Glucopyranosyl-7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • NPI 031G
  • Kakonein

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration