Tenuifoliside C - ≥98% , CAS No.139726-37-7

CAS: 139726-37-7 Cat. No.: T412631 Summenformel: C₃₅H₄₄O₁₉ Molekulargewicht: 768.7 PubChem CID: 11968391

GRADE & PURITY ≥98%

Synonyms

Tenuifoliside-C | alpha-D-Glucopyranoside, 3-O-((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl)-beta-D-fructofuranosyl, 6-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate) | alpha-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-pr

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Information

Tenuifoliside C significantly inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1. Tenuifoliside C isolated from polygala tenuifolia willd.

Specifications

Synonyme

Tenuifoliside-C | alpha-D-Glucopyranoside, 3-O-((2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propen-1-yl)-beta-D-fructofuranosyl, 6-((2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenoate) | alpha-D-Glucopyranoside, 3-O-[(2E)-1-oxo-3-(3,4,5-trimethoxyphenyl)-2-pr

Spezifikationen & Reinheit

≥98%

Biochemische und physiologische Mechanismen

Tenuifoliside C significantly inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1. Tenuifoliside C isolated from polygala tenuifolia willd.

Storage

Protected from light,Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 528775807
• Kanonisches Lächeln: COC1=CC(=CC(=C1O)OC)C=CC(=O)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)OC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)CO)O)O)O
• IUPAC Name: [(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2S,3S,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoxolan-2-yl]oxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
• InChIKey: PMGMZCFZCYRJAG-KQTMLTHJSA-N
• INCHI: 1S/C35H44O19/c1-45-19-10-17(11-20(46-2)27(19)40)6-8-25(38)50-15-24-28(41)30(43)31(44)34(51-24)54-35(16-37)33(29(42)23(14-36)53-35)52-26(39)9-7-18-12-21(47-3)32(49-5)22(13-18)48-4/h6-13,23-24,28-31,33-34,36-37,40-44H,14-16H2,1-5H3/b8-6+,9-7+/t23-,24-,28-,29-,30+,31-,33+,34-,35+/m1/s1
• Isomere SMILES: COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]3([C@H]([C@@H]([C@H](O3)CO)O)OC(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)CO)O)O)O
• PubChem CID: 11968391
• Molekulargewicht: 768.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid esters C-glycosyl compounds Disaccharides O-glycosyl compounds Dimethoxybenzenes Methoxyphenols Styrenes Anisoles Phenoxy compounds Alkyl aryl ethers Fatty acid esters Ketals Dicarboxylic acids and derivatives Oxanes Enoate esters Oxolanes Secondary alcohols Oxacyclic compounds Polyols Primary alcohols Carbonyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Coumaric acid or derivatives - Cinnamic acid ester - C-glycosyl compound - Disaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Ketal - Fatty acid ester - Alkyl aryl ether - Phenol - Benzenoid - Oxane - Fatty acyl - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Oxolane - Enoate ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Alcohol - Organic oxygen compound - Organic oxide - Primary alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO
• Empfindlichkeit: Light sensitive
• Molekulargewicht: 768.700 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 18
• Exact Mass: 768.248 Da
• Monoisotopic Mass: 768.248 Da
• Topological Polar Surface Area: 268.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1220.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1