Compound Selection

Formula: C15H10O5

MW: 270.24

CAS: 518-82-1

TNP NUMBER: TNP00318

MDL NUMBER: MFCD00001207

IUPAC: 1,6,8-trihydroxy-3-methylanthracene-9,10-dione

Smiles: C1(c2c(C(=O)c3c1c(cc(C)c3)O)cc(cc2O)O)=O

SOURCE: from Frangula bark, >90% (HPLC), powder

ACCEPTORS: 5

DONORS: 3

ROTATION BONDS: 3

N+O: 5

Chiral Centers: 0

LogP: 0.87

LogS: -3.07

LIPINSKI: 4

Synonyms: 1,3,8-trihydroxy-6-methyl-10-anthracenedione;1,3,8-trihydroxy-6-methyl-anthraquinon;6-methyl-1,3,8-trihydroxy-anthraquinon;persianberrylake;schuttgelb;RHUBARB EXTRACT;RHEUM EMODIN;FRANGULA EMODIN

CAS:518-82-1

MF:C15H10O5

MW:270.24

EINECS:208-258-8

Product Categories:Anthraquinones, Hydroquinones and Quinones;Anthraquinones;Hydroxyanthraquinones;Natural Plant Extract;The group of Polydatin;Protein Kinase;plant extract;Nutritional Ingredients;reference substance Emodin

Chemical Properties: mp 255 C (dec.)(lit.) storage temp. 2-8C solubility DMSO: soluble form powder color orange Water Solubility <0.1 g/100 mL at 19 C Merck 3561

CAS DataBase Reference: 518-82-1(

CAS DataBase Reference: ) EPA Substance Registry System9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (518-82-1) Xi Risk Statements 36/37/38 Safety Statements 26-36-37/39-36/37 WGK Germany 3 RTECS CB7920600 F 8-10-23 Hazardous Substances Data518-82-1(Hazardous Substances Data) 1,3,8-Trihydroxy-6-methylanthraquinone Emodin

Usage And Synthesis:

Chemical Properties: red-orange powder General DescriptionOrange needles or powder. Air & Water ReactionsInsoluble in water. Reactivity ProfileEmodin may be sensitive to prolonged exposure to light. Probably a weak acid due to the phenolic functional groups. Health HazardACUTE/CHRONIC HAZARDS: When heated to decomposition Emodin emits acrid smoke and irritating fumes. Fire HazardFlash point data for Emodin are not available; however, Emodin is probably combustible. Biological ActivityNaturally occurring anthraquinone that displays a range of biological activities. Exhibits anti-inflammatory, antitumor and neuroprotective effects. Emodin

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