Cornuside - ≥98% , CAS No.131189-57-6

CAS: 131189-57-6 Cat. No.: C463785 Molecular Weight: 542.49

GRADE & PURITY ≥98%

Synonyms

7-Galloylsecologanol | 7-O-Galloylsecologanol

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Description

Natural product derived from plant source.

Specifications

Synonyms

7-Galloylsecologanol | 7-O-Galloylsecologanol

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Cornuside is a Iridoid glycoside isolated from the fruit of Cornus officinalis Sieb. et Zucc. Cornus officinalis is a traditional oriental medicine, which can be used to study inflammatory diseases and promote blood circulation. Cornuside downregulates MA

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: 504766185
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766185
• Canonical Smiles: COC(=O)C1=COC(C(C1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)OC3C(C(C(C(O3)CO)O)O)O
• IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
• InChIKey: SMTKSCGLXONVGL-UPIRYGIPSA-N
• INCHI: 1S/C24H30O14/c1-3-11-12(4-5-35-21(32)10-6-14(26)17(28)15(27)7-10)13(22(33)34-2)9-36-23(11)38-24-20(31)19(30)18(29)16(8-25)37-24/h3,6-7,9,11-12,16,18-20,23-31H,1,4-5,8H2,2H3/t11-,12+,16-,18-,19+,20-,23+,24+/m1/s1
• Isomeric SMILES: COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CCOC(=O)C2=CC(=C(C(=C2)O)O)O)C=C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
• Molecular Weight: 542.49
• Reaxy-Rn: 34433385
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34433385&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Terpene glycosides
• Alternative Parents: Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters O-glycosyl compounds Aromatic monoterpenoids Iridoids and derivatives Monocyclic monoterpenoids Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Sugar acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Dicarboxylic acids and derivatives Oxanes Monosaccharides Enoate esters Vinylogous esters Methyl esters Secondary alcohols Oxacyclic compounds Polyols Acetals Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Terpene glycoside - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - O-glycosyl compound - Secoiridoid-skeleton - Glycosyl compound - Monoterpenoid - Aromatic monoterpenoid - Monocyclic monoterpenoid - Benzoate ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Sugar acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Monosaccharide - Oxane - Methyl ester - Vinylogous ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Polyol - Acetal - Alcohol - Primary alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 542.500 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 11
• Exact Mass: 542.164 Da
• Monoisotopic Mass: 542.164 Da
• Topological Polar Surface Area: 222.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 851.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1