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Substance Name: Gossypin
RN: 652-78-8
UNII: A3Q367XWX9
InChIKey: SJRXVLUZMMDCNG-KKPQBLLMSA-N

Note

  • Do not confuse with gossypin(e) which is synonym for choline.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C21-H20-O13

Molecular Weight

  • 480.376
 
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Names and Synonyms

Name of Substance

  • Gossypin

Synonyms

  • 2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside
  • 4-18-00-03589 (Beilstein Handbook Reference)
  • BRN 0071526
  • Gossypetin-8-glucoside
  • Gossypin
  • NSC 656276
  • UNII-A3Q367XWX9

Systematic Names

  • 2-(3,4-Dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-D-glucopyranosyloxy)-3,5,7-trihydroxy-

Registry Numbers

CAS Registry Number

  • 652-78-8

FDA UNII

  • A3Q367XWX9

System Generated Number

  • 0000652788

Structure Descriptors

InChI

1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17,21-27,29-31H,5H2/t11-,13-,15+,17-,21+/m1/s1

InChIKey

SJRXVLUZMMDCNG-KKPQBLLMSA-N

Smiles

O1[C@@H](Oc2c(cc(c3c2oc(c(c3=O)O)c2cc(c(cc2)O)O)O)O)[C@@H]([C@@H](O)[C@@H]([C@H]1CO)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 26300ug/kg (26.3mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 647, 1959.
rat LD50 intraperitoneal 2240mg/kg (2240mg/kg)   Indian Journal of Pharmacology. Vol. 10, Pg. 277, 1978.
rat LD50 intravenous 125mg/kg (125mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 9, Pg. 647, 1959.