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3-O-Methylellagic acid

CAT: 0804-HY-N7430Size: 1 EachDry Ice: NoHazardous: No
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Description
3-O-Methylellagic acid is a nature product that can be isolated from Myrciaria cauliflora, with anti-inflammatory activity. 3-O-Methylellagic acid shows an inhibitory effect on glucose transport assay. 3-O-Methylellagic acid has antibacterial activity, with a MIC of 32 μg/mL for Staph. Aureus ATCC 25923[1][2][3].
CAS Number
51768-38-8
UNSPSC
12352005
Hazard Statement
H302
Target
Bacterial
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/3-o-methylellagic-acid.html
Solubility
10 mM in DMSO
Smiles
O=C1C2=CC(O)=C(OC)C(O3)=C2C4=C(C3=O)C=C(O)C(O)=C4O1
Molecular Formula
C15H8O8
Molecular Weight
316.22
Precautions
P264-P270-P330-P501
References & Citations
[1]Da-Ke Zhao, et al. Jaboticabin and Related Polyphenols from Jaboticaba (Myrciaria cauliflora) with Anti-inflammatory Activity for Chronic Obstructive Pulmonary Disease. J Agric Food Chem. 2019 Feb 6;67 (5) :1513-1520.|[2]Active compounds from Lagerstroemia speciosa, insulin-like glucose uptake-stimulatory/inhibitory and adipocyte differentiation-inhibitory activities in 3T3-L1 cells. J Agric Food Chem. 2008 Dec 24;56 (24) :11668-74.|[3]Sgariglia, M. A., et al. Isolation of antibacterial components from infusion of Caesalpinia paraguariensis bark. A bio-guided phytochemical study. Food Chemistry, 2011. 126 (2), 395–404.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

3-O-Methylellagic acid

3-O-methylellagic acid has been reported in Lophostemon confertus, Callistemon citrinus, and other organisms with data available.

CAS Number51768-38-8
PubChem CID13915428
IUPAC Name6,7,13-trihydroxy-14-methoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
Molecular FormulaC15H8O8
Molecular Weight316.22
XLogP1.4
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity536
SMILES
COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O)O
InChI
InChI=1S/C15H8O8/c1-21-11-7(17)3-5-9-8-4(15(20)23-13(9)11)2-6(16)10(18)12(8)22-14(5)19/h2-3,16-18H,1H3
InChIKey
FAARLWTXUUQFSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-O-Methylellagic acid
CAS: 51768-38-8
CID: 13915428
Formula: C15H8O8
MW: 316.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.22
XLogP31.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass316.02191721
Monoisotopic Mass316.02191721
Topological Polar Surface Area123 Ų
Heavy Atom Count23
Formal Charge0
Complexity536
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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