Cas no 176665-78-4 ([1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)-)

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)- structure
176665-78-4 structure
Product Name:[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)-
CAS No:176665-78-4
MF:C20H16O12
MW:448.333847045898
CID:236326
PubChem ID:5316973
Update Time:2025-10-31

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)- Chemical and Physical Properties

Names and Identifiers

    • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)-
    • DuchesideA
    • [ "" ]
    • 3’-O-Methyl-ellagic acid-4- O-β-D-xylopyranoside
    • Ducheside A
    • CS-0024214
    • 6,14-dihydroxy-7-methoxy-13-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • AKOS032962238
    • FS-10490
    • [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2,8-dihydroxy-3-methoxy-7-(beta-D-xylopyranosyloxy)-
    • 176665-78-4
    • HY-N3787
    • 2,8-Dihydroxy-3-methoxy-7-(-D-xylopyranosyloxy)[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione; 3'-O-Methyl-4-O-(-D-xylopyranosyl)ellagic acid
    • 6,14-dihydroxy-7-methoxy-13-((2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl)oxy-2,9-dioxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
    • DA-52738
    • 3'-O-methyl-ellagic acid-4-O-beta-D-xylopyranoside
    • 6,14-DIHYDROXY-7-METHOXY-13-{[(2S,3R,4S,5R)-3,4,5-TRIHYDROXYOXAN-2-YL]OXY}-2,9-DIOXATETRACYCLO[6.6.2.0?,(1)?.0(1)(1),(1)?]HEXADECA-1(15),4,6,8(16),11,13-HEXAENE-3,10-DIONE
    • MDL： MFCD20260653
    • Inchi： 1S/C20H16O12/c1-28-15-7(21)2-5-11-10-6(19(27)32-17(11)15)3-9(13(24)16(10)31-18(5)26)30-20-14(25)12(23)8(22)4-29-20/h2-3,8,12,14,20-25H,4H2,1H3/t8-,12+,14-,20+/m1/s1
    • InChI Key： VAXNJGHUQUHOGC-ZDLAQBPYSA-N
    • SMILES： O1C[C@H]([C@@H]([C@H]([C@@H]1OC1C=C2C(=O)OC3=C(C(=CC4C(=O)OC(C=1O)=C2C=43)O)OC)O)O)O

Computed Properties

  • Exact Mass: 448.06400
  • Monoisotopic Mass: 448.06417594g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 3
  • Complexity: 761
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.3
  • Topological Polar Surface Area: 181?2

Experimental Properties

  • Color/Form: Powder
  • Density: 1.9±0.1 g/cm3
  • Boiling Point: 879.8±65.0 °C at 760 mmHg
  • Flash Point: 315.3±27.8 °C
  • PSA: 189.26000
  • LogP: -0.27200
  • Vapor Pressure: 0.0±0.3 mmHg at 25°C

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)- Security Information

[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)- Pricemore >>

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[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)- Related Literature

Related Categories

Additional information on [1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)-

Introduction to Compound CAS No. 176665-78-4: 2,8-Dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione

2,8-Dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione (CAS No. 176665-78-4) is a complex natural product that has garnered significant attention in the fields of organic chemistry and medicinal chemistry due to its unique structural features and potential biological activities. This compound belongs to the class of benzopyran derivatives, which are known for their diverse pharmacological properties, including antioxidant, anti-inflammatory, and anticancer activities.

The structure of 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione is characterized by a benzopyrano[5,4,3-cde][1]benzopyran core with multiple functional groups. The presence of hydroxyl groups at positions 2 and 8, a methoxy group at position 3, and a β-D-xylopyranosyl moiety at position 7 contributes to its high degree of functionality and potential for biological interactions. The β-D-xylopyranosyl moiety is particularly noteworthy as it introduces glycosidic linkage and enhances the compound's solubility and bioavailability.

Recent research has focused on elucidating the biological activities of this compound. Studies have shown that 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione exhibits potent antioxidant properties. In vitro assays have demonstrated its ability to scavenge free radicals and protect cells from oxidative stress. This makes it a promising candidate for the development of antioxidants for use in various health applications.

In addition to its antioxidant activity, this compound has also been investigated for its anti-inflammatory properties. Inflammatory diseases such as arthritis and inflammatory bowel disease (IBD) are major health concerns worldwide. Preclinical studies have shown that 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione can inhibit the production of pro-inflammatory cytokines and reduce inflammation in animal models. These findings suggest its potential as a therapeutic agent for inflammatory conditions.

The anticancer potential of 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione has also been explored. Cancer is a leading cause of mortality globally, and the development of new anticancer agents remains a critical area of research. Studies have shown that this compound can induce apoptosis in cancer cells and inhibit tumor growth in vitro and in vivo. The mechanism of action appears to involve the modulation of key signaling pathways involved in cell proliferation and survival.

Furthermore, the pharmacokinetic properties of 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione have been studied to understand its behavior in biological systems. Research has indicated that the compound has good oral bioavailability and a favorable pharmacokinetic profile. This is attributed to the presence of the β-D-xylopyranosyl moiety, which enhances solubility and facilitates absorption in the gastrointestinal tract.

In terms of synthesis, several methods have been developed to prepare 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione. These methods typically involve multistep reactions starting from readily available precursors. Recent advancements in synthetic chemistry have led to more efficient and scalable routes for the production of this compound. These synthetic strategies are crucial for ensuring a consistent supply for further research and potential commercialization.

The safety profile of 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione has also been evaluated in preclinical studies. Toxicity assessments have shown that it is well-tolerated at therapeutic doses with no significant adverse effects observed in animal models. However, further clinical trials are necessary to fully establish its safety and efficacy in humans.

In conclusion, 2,8-dihydroxy-3-methoxy-7-(β-D-xylopyranosyloxy)benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione (CAS No. 176665-78-4) is a promising natural product with a wide range of biological activities. Its unique structural features make it an attractive candidate for further research and development in various therapeutic areas. Ongoing studies continue to uncover new insights into its mechanisms of action and potential applications in medicine.

176665-78-4 ([1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,8-dihydroxy-3-methoxy-7-(b-D-xylopyranosyloxy)-) Related Products

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