Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Daidzin
RN: 552-66-9
UNII: 4R2X91A5M5
InChIKey: KYQZWONCHDNPDP-QNDFHXLGSA-N

Note

  • A potent, selective, and reversible inhibitor of human mitochondrial aldehyde dehydrogenase.

Molecular Formula

  • C21-H20-O9

Molecular Weight

  • 416.38
 

Classification Codes

  • Alcohol Deterrents
  • Central Nervous System Agents
  • Drug / Therapeutic Agent
  • Enzyme Inhibitors
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Daidzin

Synonyms

  • 4-18-00-01808 (Beilstein Handbook Reference)
  • 7-(beta-D-Glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
  • BRN 0059741
  • Daidzein 7-glucoside
  • Daidzein 7-O-glucoside
  • Daidzin
  • Daidzoside
  • NPI 031D
  • UNII-4R2X91A5M5

Systematic Names

  • 4H-1-Benzopyran-4-one, 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-
  • Daidzein-7-glucoside

Registry Numbers

CAS Registry Number

  • 552-66-9

FDA UNII

  • 4R2X91A5M5

Other Registry Numbers

  • 1329-08-4
  • 28572-56-7

System Generated Number

  • 0000552669

Structure Descriptors

InChI

1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

InChIKey

KYQZWONCHDNPDP-QNDFHXLGSA-N

Smiles

c1(=O)c2ccc(cc2occ1c1ccc(cc1)O)O[C@@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@H]1O)CO

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 13, Pg. 51, 1979.