emodic acid
9,10-dihydro-4,5,7-trihydroxy-9,10-dioxoanthroic acid
Identification
| Name | emodic acid |
| IUPAC | 4,5,7-trihydroxy-9,10-dioxoanthracene-1-carboxylic acid |
| CAS Number | 478-45-5 |
| FDA UNII | Search |
| Molecular Formula | C15 H8 O7 |
| Molecular Weight | 300.22316000 |
| Beilstein | 2668609 |
Regulatory
Physical Properties
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Boiling Point | 689.33 °C. @ 760.00 mm Hg (est) |
| Flash Point | 724.00 °F. TCC ( 384.70 °C. ) (est) |
| logP (o/w) | 2.941 (est) |
| Soluble in | water, 9.968 mg/L @ 25 °C (est) |
No sensory data available
Safety Information
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | natural substances and extractives |
| Recommendation for emodic acid usage levels up to | not for fragrance use. |
| Recommendation for emodic acid flavor usage levels up to | not for flavor use. |
No supplier data available
Potential Uses
Natural Occurrence
Synonyms
2-
anthracenecarboxylic acid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo- (9CI)
anthroic acid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-
9,10-
dihydro-4,5,7-trihydroxy-9,10-dioxoanthroic acid
4,5,7-
trihydroxy-9,10-dioxoanthracene-1-carboxylic acid
PubMed:
In silico identification of natural product inhibitors of JAK2.
PubMed:
Binding and "pKa" modulation of a polycyclic substrate analogue in a type II polyketide acyl carrier protein.
PubMed:
Gymnochromes E and F, cytotoxic phenanthroperylenequinones from a deep-water crinoid, Holopus rangii.
PubMed:
Differential inhibition of matrix metalloproteinases-2, -9, and -13 activities by selected anthraquinones.
PubMed:
Structural elucidation of in vitro metabolites of emodin by liquid chromatography-tandem mass spectrometry.
PubMed:
Pest-managing activities of plant extracts and anthraquinones from Cassia nigricans from Burkina Faso.
PubMed:
Design, synthesis, and evaluation of a long-acting, potent analogue of gonadotropin-releasing hormone.
PubMed:
Generation of free radicals by emodic acid and its [D-Lys6]GnRH-conjugate.
PubMed:
Mutagenicity of anthraquinones in the Salmonella preincubation test.
PubMed:
Metabolism of [14C]emodin in the rat.
PubMed:
Studies in the biochemistry of micro-organisms: Emodic acid (4:5:7-trihydroxyanthraquinone-2-carboxylic acid) and omega-hydroxyemodin (4:5:7-trihydroxy-2-(hydroxymethyl)-anthraquinone), metabolic products of a strain of Penicillium cyclopium Westling.