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Substance Name: Emodin
RN: 518-82-1
UNII: KA46RNI6HN
InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

Note

  • Purgative anthraquinone found in several plants, especially Rhamnus frangula. It was formerly used as a laxative, but is now used mainly as tool in toxicity studies.

Molecular Formula

  • C15-H10-O5

Molecular Weight

  • 270.239
 

Classification Codes

  • Cathartics
  • Enzyme Inhibitors
  • Gastrointestinal Agents
  • Mutation Data
  • Protein Kinase Inhibitors
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Emodin

MeSH Heading

  • Emodin

Synonyms

  • 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione
  • 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone
  • 1,3,8-Trihydroxy-6-methylanthraquinone
  • 3-Methyl-1,6,8-trihydroxyanthraquinone
  • 4,5,7-Trihydroxy-2-methylanthraquinone
  • 4-08-00-03575 (Beilstein Handbook Reference)
  • 6-Methyl-1,3,8-trihydroxyanthraquinone
  • AI3-38286
  • Anthraquinone, 1,3,8-trihydroxy-6-methyl-
  • BRN 1888141
  • C.I. 75440
  • C.I. Natural Yellow 14
  • CCRIS 3528
  • EINECS 208-258-8
  • Emodin
  • Emodol
  • Frangula emodin
  • Frangulic acid
  • HSDB 7093
  • NSC 408120
  • NSC 622947
  • Persian Berry Lake
  • Rheum emodin
  • Schuttgelb
  • UNII-KA46RNI6HN

Systematic Names

  • 1,3,8-Trihydroxy-6-methylanthraquinone
  • 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-
  • 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI)
  • Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI)
  • Anthraquinone, 6-methyl-1,3,8-trihydroxy-
  • Emodin

Superlist Name

  • Emodin

Registry Numbers

CAS Registry Number

  • 518-82-1

FDA UNII

  • KA46RNI6HN

System Generated Number

  • 0000518821

Structure Descriptors

InChI

1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

InChIKey

RHMXXJGYXNZAPX-UHFFFAOYSA-N

Smiles

Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 35mg/kg (35mg/kg) GASTROINTESTINAL: OTHER CHANGES Journal of Agricultural and Food Chemistry. Vol. 27, Pg. 1342, 1979.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 257 deg C   EXP
log P (octanol-water) 4.010 (none)   EST
Atmospheric OH Rate Constant 2.01E-10 cm3/molecule-sec 25 EST

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