Coniferin - ≥98% , CAS No.531-29-3

CAS: 531-29-3 Cat. No.: A463221 분자식: C₁₆H₂₂O₈ 분자량: 342.34 EC 번호: 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

개요

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

동의어

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

사양 및 순도

≥98%

보관 조건

Protected from light,Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 488195200
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195200
• 정식 스마일: 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
• 이성체 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
• 대체 CAS: 124151-33-3
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SI Tchem Sucrase-isomaltase (84 Activities)

Discover Target: SI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive；Moisture sensitive
• 분자량: 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