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Emodin

CAT: 0804-HY-14393-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14393-01Size:50 mg
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Description
Emodin (Frangula emodin), an anthraquinone derivative, is an anti-SARS-CoV compound. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 (ACE2) interaction[1]. Emodin inhibits casein kinase-2 (CK2) . Anti-inflammatory and anticancer effects[2]. Emodin is a potent selective 11β-HSD1 inhibitor with the IC50 of 186 and 86 nM for human and mouse 11β-HSD1, respectively. Emodin ameliorates metabolic disorder in diet-induced obese mice[3].
CAS Number
518-82-1
Product Name Alternative
Frangula emodin
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
11β-HSD; Autophagy; Casein Kinase; SARS-CoV
Type
Natural Products
Related Pathways
Anti-infection; Autophagy; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Stem Cell/Wnt
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Emodin.html
Purity
99.39
Solubility
Acetone : 10.87 mg/mL (ultrasonic) |DMSO : 5.41 mg/mL (ultrasonic) |Ethanol : < 1 mg/mL (ultrasonic)
Smiles
O=C1C2=C(C=C(C)C=C2O)C(C3=CC(O)=CC(O)=C31)=O
Molecular Formula
C15H10O5
Molecular Weight
270.24
Precautions
H302, H315, H319, H335
References & Citations
[1]Tin-Yun Ho, et al. Emodin blocks the SARS coronavirus spike protein and angiotensin-converting enzyme 2 interaction. Antiviral Res. 2007 May;74 (2) :92-101.|[2]Ying Feng, et al. Emodin, a natural product, selectively inhibits 11beta-hydroxysteroid dehydrogenase type 1 and ameliorates metabolic disorder in diet-induced obese mice. Br J Pharmacol. 2010 Sep;161 (1) :113-26.|[3]Stefania Sarno, et al. Toward the rational design of protein kinase casein kinase-2 inhibitors. Pharmacol Ther. Feb-Mar 2002;93 (2-3) :159-68.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
CK2

Chemical Information

Emodin

Emodin is a trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor, a laxative and a plant metabolite. It is functionally related to an emodin anthrone. It is a conjugate acid of an emodin(1-).

CAS Number518-82-1
PubChem CID3220
IUPAC Name1,3,8-trihydroxy-6-methylanthracene-9,10-dione
Molecular FormulaC15H10O5
Molecular Weight270.24
XLogP2.7
Topological Polar Surface Area94.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count20
Formal Charge0
Complexity434
SMILES
CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)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
Chemical Structure
2D Structure
2D structure of Emodin
CAS: 518-82-1
CID: 3220
Formula: C15H10O5
MW: 270.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.24
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass270.05282342
Monoisotopic Mass270.05282342
Topological Polar Surface Area94.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity434
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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