Coniferin - ≥98% , CAS No.531-29-3

CAS: 531-29-3 Cat. No.: A463221 Formula: C₁₆H₂₂O₈ Peso molecolare: 342.34 Numero EC: 803-885-9

GRADE & PURITY ≥98%

Synonyms

HMS2267N17 | NCGC00179896-02 | ACon1_002032 | 3-(4-beta-D-Glucopyranosyloxy-3-methoxyphenyl)-2-propen-1-ol | Coniferyl alcohol beta-delta-glucoside | HY-N3617 | Coniferin | NCGC00179896-01 | Coniferyl alcohol beta-D-glucoside | (2R,3S,4S,5R,6S)-2-(hydroxy

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Description

Abietin, also known as Coniferin, is a glucoside of coniferyl alcohol that is also found in the water root extract of Angelica archangelica subsp. litoralis.}

Specifications

Sinonimi

HMS2267N17 | NCGC00179896-02 | ACon1_002032 | 3-(4-beta-D-Glucopyranosyloxy-3-methoxyphenyl)-2-propen-1-ol | Coniferyl alcohol beta-delta-glucoside | HY-N3617 | Coniferin | NCGC00179896-01 | Coniferyl alcohol beta-D-glucoside | (2R,3S,4S,5R,6S)-2-(hydroxy

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Protected from light,Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488195200
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195200
• Sorrisi canonici: COC1=C(C=CC(=C1)C=CCO)OC2C(C(C(C(O2)CO)O)O)O
• IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]oxane-3,4,5-triol
• InChIKey: SFLMUHDGSQZDOW-FAOXUISGSA-N
• INCHI: 1S/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3/b3-2+/t12-,13-,14+,15-,16-/m1/s1
• Isomeri SMILES: COC1=C(C=CC(=C1)/C=C/CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
• CAS alternativo: 124151-33-3
• Peso molecolare: 342.34
• Reaxy-Rn: 40685154
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40685154&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: O-glycosyl compounds Cinnamyl alcohols Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - O-glycosyl compound - Cinnamyl alcohol - Phenoxy compound - Anisole - Methoxybenzene - Styrene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Oxane - Secondary alcohol - Ether - Organoheterocyclic compound - Acetal - Oxacycle - Polyol - Hydrocarbon derivative - Alcohol - Primary alcohol - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: Coniferyl alcohol derivatives

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

Obiettivi associati (umani)

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Discover Target: PTGS1

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SI Tchem Sucrase-isomaltase (84 Activities)

Discover Target: SI

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Obiettivi associati (non umani)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive；Moisture sensitive
• Peso molecolare: 342.340 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 342.131 Da
• Monoisotopic Mass: 342.131 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 404.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1