Cas no 64917-83-5 (Schisantherin E)

Schisantherin E is a bioactive lignan compound primarily derived from Schisandra chinensis, a plant known for its medicinal properties. It exhibits notable pharmacological activities, including hepatoprotective, anti-inflammatory, and antioxidant effects. Structurally, it belongs to the dibenzocyclooctadiene lignan class, characterized by its unique polycyclic framework. Schisantherin E has demonstrated potential in modulating oxidative stress and inflammation-related pathways, making it a subject of interest in preclinical research for liver disorders and neurodegenerative diseases. Its high purity and well-defined chemical structure ensure reproducibility in experimental studies. Analytical methods such as HPLC and LC-MS are commonly employed for its identification and quantification, supporting rigorous scientific investigation.
Schisantherin E structure
Schisantherin E structure
Product Name:Schisantherin E
CAS No:64917-83-5
MF:C30H34O9
MW:538.585569858551
CID:511181
PubChem ID:13844274
Update Time:2025-05-20

Schisantherin E Chemical and Physical Properties

Names and Identifiers

    • Dibenzo[a,c]cyclooctene-3,7,8-triol,5,6,7,8-tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyl-, 8-benzoate,(6S,7S,8S)-
    • Schisantherin E
    • Schizantherin-E
    • Schisantherin-E
    • Schizantherin E
    • (6S,7S,8S)-5,6,7,8-Tetrahydro-1,2,10,11,12-pentamethoxy-6,7-dimethyldibenzo[a,c]cyclooctene-3,7,8-triol 8-benzoate
    • [(9S)-9,14-Dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,
    • CHEMBL4203313
    • 64917-83-5
    • HY-N0860
    • CS-3668
    • [(8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyl-8-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] benzoate
    • FS-7149
    • DA-77753
    • (5S)-6alpha,7beta-Dimethyl-1,2,3,11,12-pentamethoxy(5,6,7,8-tetrahydrodibenzo[a,c]cyclooctene)-5alpha,6beta,10-triol 5-benzoate
    • (8S,9S,10S)-9,14-dihydroxy-3,4,5,15,16-pentamethoxy-9,10-dimethyltricyclo[10.4.0.0(2),?]hexadeca-1(12),2(7),3,5,13,15-hexaen-8-yl benzoate
    • Inchi: 1S/C30H34O9/c1-16-13-18-14-20(31)24(35-4)26(37-6)22(18)23-19(15-21(34-3)25(36-5)27(23)38-7)28(30(16,2)33)39-29(32)17-11-9-8-10-12-17/h8-12,14-16,28,31,33H,13H2,1-7H3/t16-,28-,30-/m0/s1
    • InChI Key: ZNXDFTKQSCEJGE-DSASHONVSA-N
    • SMILES: O[C@]1(C)[C@H](C2C=C(C(=C(C=2C2C(=C(C(=CC=2C[C@@H]1C)O)OC)OC)OC)OC)OC)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 538.22000
  • Monoisotopic Mass: 538.22028266 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 39
  • Rotatable Bond Count: 8
  • Complexity: 803
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.8
  • Topological Polar Surface Area: 113
  • Molecular Weight: 538.6

Experimental Properties

  • Color/Form: Powder
  • Density: 1.30±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 222 - 224°C
  • Boiling Point: 692.2±55.0 °C at 760 mmHg
  • Flash Point: 223.1±25.0 °C
  • Solubility: Insuluble (7.5E-3 g/L) (25 oC),
  • PSA: 112.91000
  • LogP: 4.94350
  • Vapor Pressure: 0.0±2.3 mmHg at 25°C

Schisantherin E Security Information

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Additional information on Schisantherin E

Schisantherin E: A Comprehensive Overview

Schisantherin E, with the CAS number 64917-83-5, is a bioactive compound that has garnered significant attention in the fields of pharmacology and natural product research. This compound, belonging to the class of triterpenoids, is primarily isolated from the fruits of Schisandra chinensis, a plant widely used in traditional Chinese medicine (TCM). Recent studies have highlighted its potential in various therapeutic applications, making it a subject of intense scientific investigation.

The structural elucidation of Schisantherin E has been a focal point for researchers due to its complex triterpenoid framework. Advanced analytical techniques, such as nuclear magnetic resonance (NMR) spectroscopy and high-resolution mass spectrometry (HRMS), have been employed to confirm its molecular structure. The compound exhibits a unique arrangement of functional groups, including multiple hydroxyl and methoxy substituents, which contribute to its pharmacological properties.

One of the most promising aspects of Schisantherin E is its antioxidant activity. Recent research has demonstrated that this compound effectively scavenges free radicals, such as DPPH and ABTS radicals, suggesting its potential role in combating oxidative stress-related diseases. Moreover, studies have shown that Schisantherin E can upregulate the expression of antioxidant enzymes like superoxide dismutase (SOD) and glutathione peroxidase (GPx), further enhancing its protective effects against oxidative damage.

Inflammation is another area where Schisantherin E has shown remarkable potential. Experimental models have revealed that this compound inhibits the production of pro-inflammatory cytokines, such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α), by modulating the NF-κB signaling pathway. These findings underscore its potential as a natural anti-inflammatory agent, particularly for chronic inflammatory conditions like arthritis and cardiovascular diseases.

The hepatoprotective effects of Schisantherin E have also been extensively studied. Research indicates that this compound can mitigate liver damage caused by toxicants such as carbon tetrachloride (CCl?) by reducing lipid peroxidation and enhancing cellular repair mechanisms. Furthermore, Schisantherin E has been shown to regulate key metabolic pathways in the liver, making it a potential candidate for treating liver diseases like hepatitis and fatty liver syndrome.

Recent advancements in nanotechnology have opened new avenues for the delivery of Schisantherin E. Researchers have explored the use of nanoformulations, such as liposomes and polymeric nanoparticles, to improve the bioavailability and therapeutic efficacy of this compound. These innovations could pave the way for more effective treatments in the future.

In conclusion, Schisantherin E (CAS 64917-83-5) is a multifaceted bioactive compound with diverse pharmacological properties. Its antioxidant, anti-inflammatory, and hepatoprotective effects make it a valuable asset in both traditional and modern medicine. As research continues to uncover new insights into its mechanisms of action and therapeutic applications, Schisantherin E holds immense promise for addressing various health challenges in the coming years.

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