Lindleyin - Moligand™,≥99% , CAS No.59282-56-3

CAS: 59282-56-3 Cat. No.: L648502 분자식: C₂₃H₂₆O₁₁ 분자량: 478.45

GRADE & PURITY Moligand™, ≥99%

Synonyms

((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

Lindleyin, isolated from Rhei rhizoma , mediates hormonal effects through estrogen receptors. Lindleyin binds to ERα with estrogenic activity.

Form:Solid

Specifications

동의어

((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(4-(3-oxobutyl)phenoxy)tetrahydro-2H-pyran-2-yl)methyl 3,4,5-trihydroxybenzoate

사양 및 순도

Moligand™,≥99%

생화학 및 생리적 메커니즘

Lindleyin, isolated from Rhei rhizoma , mediates hormonal effects through estrogen receptors. Lindleyin binds to ERα with estrogenic activity.

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ACTIVATOR

순수함

≥99%

이름과 식별자

정식 스마일

CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O

IUPAC Name

[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

InChIKey

BJYRNIFAMMOVGW-OXUVVOBNSA-N

INCHI

1S/C23H26O11/c1-11(24)2-3-12-4-6-14(7-5-12)33-23-21(30)20(29)19(28)17(34-23)10-32-22(31)13-8-15(25)18(27)16(26)9-13/h4-9,17,19-21,23,25-30H,2-3,10H2,1H3/t17-,19-,20+,21-,23-/m1/s1

이성체 SMILES

CC(=O)CCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O

분자량

478.45

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: Galloyl esters p-Hydroxybenzoic acid alkyl esters O-glycosyl compounds m-Hydroxybenzoic acid esters Pyrogallols and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Secondary alcohols Carboxylic acid esters Ketones Acetals Polyols Monocarboxylic acids and derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - O-glycosyl compound - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Oxane - Monosaccharide - Benzenoid - Ketone - Carboxylic acid ester - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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: 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 478.400 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 478.148 Da
• Monoisotopic Mass: 478.148 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 668.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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