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94344-54-4,MFCD20274974
Catalog No.:AA01CCE4

94344-54-4 | 2-Propen-1-one,3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-, (2E)-

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5mg
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$400.00   $280.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01CCE4
Chemical Name:
2-Propen-1-one,3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-, (2E)-
CAS Number:
94344-54-4
Molecular Formula:
C16H14O5
Molecular Weight:
286.2794
MDL Number:
MFCD20274974
SMILES:
COc1cc(O)ccc1C(=O)C=Cc1ccc(c(c1)O)O
Properties
Computed Properties
 
Complexity:
381  
Covalently-Bonded Unit Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
2.6  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,2020,vol.197

Literature

Title: Mechanism of sappanchalcone-induced growth inhibition and apoptosis in human oral cancer cells.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20111201

Title: Effects of sappanchalcone on the cytoprotection and anti-inflammation via heme oxygenase-1 in human pulp and periodontal ligament cells.

Journal: European journal of pharmacology 20101010

Title: Antioxidant properties of benzylchroman derivatives from Caesalpinia sappan L. against oxidative stress evaluated in vitro.

Journal: Journal of enzyme inhibition and medicinal chemistry 20101001

Title: Protective effects of 3'-deoxy-4-O-methylepisappanol from Caesalpinia sappan against glutamate-induced neurotoxicity in primary cultured rat cortical cells.

Journal: Phytotherapy research : PTR 20100301

Title: Reliability of bond dissociation enthalpy calculated by the PM6 method and experimental TEAC values in antiradical QSAR of flavonoids.

Journal: Bioorganic & medicinal chemistry 20100101

Title: Vasorelaxant activity of Sappan Lignum constituents and extracts on rat aorta and mesenteric artery.

Journal: Biological & pharmaceutical bulletin 20100101

Title: Anti-allergic activity of principles from the roots and heartwood of Caesalpinia sappan on antigen-induced beta-hexosaminidase release.

Journal: Phytotherapy research : PTR 20090701

Title: A new 3-benzylchroman derivative from Sappan Lignum (Caesalpinia sappan).

Journal: Molecules (Basel, Switzerland) 20080828

Title: Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.

Journal: Journal of medicinal chemistry 20080814

Title: In vitro study for inhibition of NO production about constituents of Sappan Lignum.

Journal: Biological & pharmaceutical bulletin 20070101

Title: Seo HW, et al. Sappanchalcone, a flavonoid isolated from Caesalpinia sappan L., induces caspase-dependent and AIF-dependent apoptosis in human colon cancer cells. Chem Biol Interact. 2020;327:109185.

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SDS
Tags:94344-54-4 Molecular Formula|94344-54-4 MDL|94344-54-4 SMILES|94344-54-4 2-Propen-1-one,3-(3,4-dihydroxyphenyl)-1-(4-hydroxy-2-methoxyphenyl)-, (2E)-