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

CAS: 139726-37-7 Cat. No.: T412631 Formula: C₃₅H₄₄O₁₉ Molecular Weight: 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

Overview

Information

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

Specifications

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

Pubchem Sid

528775807

Canonical Smiles

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

Isomeric 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

Molecular Weight

768.7

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: 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
• Description: 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

Associated Targets(Human)

SK-MEL-2 (46422 Activities)

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SK-OV-3 (52876 Activities)

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A549 (127892 Activities)

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Associated Targets(non-human)

BV-2 (3710 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Sensitivity: Light sensitive
• Molecular Weight: 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