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Substance Name: Aloe emodin
RN: 481-72-1
UNII: C8IYT9CR7C
InChIKey: YDQWDHRMZQUTBA-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C15-H10-O5

Molecular Weight

  • 270.239
 
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Names and Synonyms

Name of Substance

  • Aloe emodin

Synonyms

  • 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione
  • 1,8-Dihydroxy-3-hydroxymethylanthraquinone
  • 3-Hydroxymethylchrysazin
  • 4-08-00-03578 (Beilstein Handbook Reference)
  • Aloe emodin
  • Aloe-emodin
  • BRN 2059062
  • CCRIS 3526
  • EINECS 207-571-7
  • Emodine
  • NSC 38628
  • Rhabarberone
  • UNII-C8IYT9CR7C

Systematic Names

  • 1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone
  • 9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)- (9CI)
  • Aloe-emodin
  • Anthraquinone, 1,8-dihydroxy-3-hydroxymethyl-

Registry Numbers

CAS Registry Number

  • 481-72-1

FDA UNII

  • C8IYT9CR7C

System Generated Number

  • 0000481721

Structure Descriptors

InChI

1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2

InChIKey

YDQWDHRMZQUTBA-UHFFFAOYSA-N

Smiles

c12c(C(c3c(cccc3C1=O)O)=O)c(cc(c2)CO)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 223.5 deg C   EXP
log P (octanol-water) 3.020 (none)   EST
Atmospheric OH Rate Constant 4.83E-11 cm3/molecule-sec 25 EST

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