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Substance Name: Methyl hesperidin
RN: 11013-97-1
UNII: K324U7386B
InChIKey: GUMSHIGGVOJLBP-SLRPQMTOSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C29-H36-O15

Molecular Weight

  • 624.5884
 
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Names and Synonyms

Name of Substance

  • Methyl hesperidin

Synonyms

  • CCRIS 4278
  • Methylhesperidin
  • UNII-K324U7386B

Systematic Names

  • 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, monomethyl ether, (2S)-
  • Methyl hesperidin

Registry Numbers

CAS Registry Number

  • 11013-97-1

FDA UNII

  • K324U7386B

System Generated Number

  • 0011013971

Structure Descriptors

InChI

1S/C29H36O15/c1-11-22(32)24(34)26(36)28(41-11)40-10-20-23(33)25(35)27(37)29(44-20)42-13-7-14(30)21-15(31)9-17(43-19(21)8-13)12-4-5-16(38-2)18(6-12)39-3/h4-8,11,17,20,22-30,32-37H,9-10H2,1-3H3/t11-,17-,20+,22-,23+,24+,25-,26+,27+,28+,29+/m0/s1

InChIKey

GUMSHIGGVOJLBP-SLRPQMTOSA-N

Smiles

COc1ccc(cc1OC)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 750mg/kg (750mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 237S, 1957.