Description
Emodin is an anthraquinone found naturally in the roots and barks of numerous plants. It exerts antiproliferative effects in cancer cells that are regulated by different signaling pathways. It has anti-cancer, anti-depressant and anti-microbial effects.
Synonyms
Emodol; Frangula emodin; HSDB 7093; NSC 408120; NSC 622947; 3-methyl-1,6,8-trihydroxyanthraquinone; 1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione; 1,6,8-Trihydroxy-3-methylanthraquinone; 4,5,7-Trihydroxy-2-methylanthraquinone; Archin; Frangulic Acid; Rheum Emodin; Schuttgelb
IUPAC Name
1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Molecular Formula
C15H10O5
Canonical SMILES
CC1=CC(=C2C(=C1)C(=O)C3=CC(=CC(=C3C2=O)O)O)O
InChI
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
Boiling Point
586.9°C at 760 mmHg
Flash Point
322.8±23.6 °C
Solubility
Slightly soluble in Chloroform, DMSO, Methanol
Appearance
Orange to Dark Orange Solid
Toxicity
LD50: 35 mg/kg (Intraperitoneal, Mouse).
Vapor Pressure
0.0±1.7 mmHg at 25°C