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Substance Name: Hesperidin
RN: 520-26-3
UNII: E750O06Y6O
InChIKey: QUQPHWDTPGMPEX-QJBIFVCTSA-N

Note

  • A flavanone glycoside found in CITRUS fruit peels.

Molecular Formula

  • C28-H34-O15

Molecular Weight

  • 610.5616
 
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Names and Synonyms

Name of Substance

  • Hesperidin

MeSH Heading

  • Hesperidin

Synonyms

  • 3',5'-Dihydroxy-4'-methoxy-7-rutinosyloxyflavan-4-on
  • 4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydo-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-, (S)-
  • 5-18-05-00218 (Beilstein Handbook Reference)
  • 5-Hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-((6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl)oxy)-4-chromanon
  • 7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2,3-dihydro-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one, (S)-
  • 7-(6-O-Desoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-chromanon
  • BRN 0075140
  • CCRIS 3940
  • Cirantin
  • EC 208-288-1
  • EINECS 208-288-1
  • Glucopyranoside, hesperetin-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
  • Hesper bitabs
  • Hesperetin 7-rutinoside
  • Hesperetin, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)
  • Hesperetin-7-O-rhamnoglucoside
  • Hesperetin-rutinosid
  • Hesperidin
  • Hesperidin, (2S)-
  • Hesperidin, (S)-(-)-
  • Hesperidine
  • Hesperidoside
  • Hesperitin-7-rhamnoglucoside
  • NSC 44184
  • UNII-E750O06Y6O
  • USAF CF-3

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)-, (2S)-
  • Hesperidin

Superlist Name

  • Hesperidin

Registry Numbers

CAS Registry Number

  • 520-26-3

FDA UNII

  • E750O06Y6O

Other Registry Numbers

  • 106904-63-6
  • 15512-51-3
  • 16643-24-6
  • 17654-22-7
  • 28283-75-2
  • 30927-97-0
  • 32737-61-4
  • 960582-50-7

System Generated Number

  • 0000520263

Structure Descriptors

InChI

1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

InChIKey

QUQPHWDTPGMPEX-QJBIFVCTSA-N

Smiles

COc1ccc(cc1O)[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 intraperitoneal 1gm/kg (1000mg/kg)   National Technical Information Service. Vol. AD277-689,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 262 deg C   EXP
log P (octanol-water) -0.720 (none)   EST
Atmospheric OH Rate Constant 3.68E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.