Cas no 154461-65-1 (2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)-)

2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- structure
154461-65-1 structure
Product Name:2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)-
CAS No:154461-65-1
MF:C17H22O9
MW:370.351186275482
CID:98033
PubChem ID:25791064
Update Time:2025-07-08

2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- Chemical and Physical Properties

Names and Identifiers

    • 2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)-
    • 2-Propenal,3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(E)-
    • Sinapaldehyde glucoside
    • Sinapaldehyde 4-O-β-D-glucopyranoside
    • [ "Sinapaldehyde 4-O-β-D-glucopyranoside" ]
    • trans-sinapyl aldehyde 4-O-beta-D-glucopyranoside
    • (E)-sinapaldehyde 4-O-beta-D-glucopyranoside
    • (E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enal
    • 154461-65-1
    • AKOS040762351
    • NCGC00385983-01_C17H22O9_2,6-Dimethoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl beta-D-glucopyranoside
    • (E)-sinapic aldehyde 4-O-beta-D-glucopyranoside
    • (2E)-3-[4-(beta-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propenal
    • CHEBI:142126
    • trans-sinapaldehyde beta-D-glucoside
    • 4-O-(beta-D-glucosyl)-trans-sinapyl aldehyde
    • sinapyl aldehyde glucoside
    • sinapaldehydeglucoside
    • sinapyl aldehyde-4-O-beta-D-glucopyranoside
    • 4-O-(beta-D-glucosyl)-4-trans-sinapyl aldehyde
    • FS-10417
    • 2,6-dimethoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl beta-D-glucopyranoside
    • (E)-sinapyl aldehyde 4-O-beta-D-glucopyranoside
    • trans-sinapaldehyde glucoside
    • DTXSID701169886
    • trans-sinapaldehyde 4-O-beta-D-glucopyranoside
    • CHEMBL251059
    • trans-4-O-(beta-D-glucosyl)-sinapoyl aldehyde
    • sinapic aldehyde glucoside
    • (E)-sinapaldehyde glucopyranoside
    • trans-sinapic aldehyde 4-O-beta-D-glucopyranoside
    • NCGC00385983-01
    • 2-Propenal, 3-[4-(beta-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (E)-
    • 2-Propenal, 3-[4-(-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-, (E)-
    • Sinapyl 4-O-?2-D-glucopyranoside aldehyde
    • 4-O-(beta-D-glucosyl)-4-trans-sinapoyl aldehyde
    • (2E)-3-[4-(I(2)-D-Glucopyranosyloxy)-3,5-dimethoxyphenyl]-2-propenal
    • Inchi： 1S/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1
    • InChI Key： OYTCTPHTVUEGCL-GCPOEHJPSA-N
    • SMILES： O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C(=CC(/C=C/C=O)=CC=1OC)OC

Computed Properties

  • Exact Mass: 370.12600
  • Monoisotopic Mass: 370.12638228g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 457
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -1.2
  • Topological Polar Surface Area: 135?2

Experimental Properties

  • Color/Form: Powder
  • PSA: 134.91000
  • LogP: -0.90540

2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- Security Information

2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- Pricemore >>

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2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- Related Literature

Related Categories

Additional information on 2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)-

2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)-: A Comprehensive Overview

CAS No. 154461-65-1, commonly referred to as 2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)-, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which includes a conjugated enal system and a substituted phenyl group with a glucopyranosyloxy moiety. The presence of these functional groups makes it a promising candidate for various applications in drug discovery and natural product synthesis.

The compound's structure has been extensively studied using advanced spectroscopic techniques such as NMR and mass spectrometry. Recent research has highlighted its potential as a bioactive molecule due to its ability to interact with specific biological targets. For instance, studies have shown that 2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- exhibits significant antioxidant activity, which could be attributed to its conjugated enal system and the electron-donating groups on the phenyl ring.

In terms of synthesis, the compound can be prepared through a variety of methods, including enzymatic catalysis and traditional organic synthesis techniques. One notable approach involves the use of glycosyltransferases to facilitate the formation of the glucopyranosyloxy group. This enzymatic method not only enhances the efficiency of the synthesis but also aligns with the growing trend toward sustainable and eco-friendly chemical processes.

The pharmacological properties of CAS No. 154461-65-1 have been explored in several recent studies. For example, research has demonstrated its potential as an anti-inflammatory agent by inhibiting key inflammatory pathways. Additionally, preliminary in vitro studies suggest that this compound may possess antitumor activity by modulating cellular signaling pathways involved in cancer progression.

From an application standpoint, 2-Propenal, 3-[4-(b-D-glucopyranosyloxy)-3,5-dimethoxyphenyl]-,(2E)- holds promise in the development of novel therapeutic agents. Its ability to target specific biological processes makes it a valuable tool in drug design. Furthermore, its structural features make it an ideal candidate for further modification to enhance its bioavailability and efficacy.

In conclusion, CAS No. 154461-65-1 represents a fascinating molecule with diverse applications in both academic research and industrial settings. As ongoing studies continue to uncover its potential, this compound is poised to play a significant role in advancing our understanding of natural product chemistry and its implications for human health.

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