Paeonolide - ≥97%(HPLC) , CAS No.72520-92-4

CAS: 72520-92-4 Cat. No.: P160234 Peso molecular: 460.43 Beilstein Registry Number: 17(4)3462 PubChem CID: 442923

GRADE & PURITY ≥97%(HPLC)

Synonyms

C10715 | BDBM50310721 | Paeonolide | MFCD20265600 | Q27107606 | XCA52092 | AC1L9DNN | AKOS030573577 | DTXSID20993369 | 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone | C

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Descripción general

Paeonolide is a plant glycoside that contains a non-reducing end α-l-arabinopyranoside and is found in the roots of the widespread plant genus Paeonia.

Specifications

Sinónimos

C10715 | BDBM50310721 | Paeonolide | MFCD20265600 | Q27107606 | XCA52092 | AC1L9DNN | AKOS030573577 | DTXSID20993369 | 1-[4-methoxy-2-[(2S, 3R, 4S, 5S, 6R)-3, 4, 5-trihydroxy-6-[[(2S, 3R, 4S, 5S)-3, 4, 5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone | C

Especificaciones y pureza

≥97%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(=O)C1=C(C=C(C=C1)OC)OC2C(C(C(C(O2)COC3C(C(C(CO3)O)O)O)O)O)O
• IUPAC Name: 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone
• InChIKey: IDZZECHGWAZTIB-NYBIBFQCSA-N
• INCHI: 1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
• Isómeros SMILES: CC(=O)C1=C(C=C(C=C1)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@H](CO3)O)O)O)O)O)O
• PubChem CID: 442923
• Peso molecular: 460.43
• Beilstein: 17(4)3462
• Reaxy-Rn: 66790

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: Alkyl-phenylketones O-glycosyl compounds Disaccharides Acetophenones Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Oxanes Secondary alcohols Acetals Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - Alkyl-phenylketone - Disaccharide - O-glycosyl compound - Acetophenone - Phenylketone - Phenoxy compound - Phenol ether - Benzoyl - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Anisole - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Ketone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Alcohol - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: 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: glycoside

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

Objetivos asociados (humanos)

AKR1B1 Tclin Aldose reductase (1404 Activities)

Discover Target: AKR1B1

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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat Sensitive；Light sensitive
• Punto de fusión (°C): 197°C(dec.)(lit.)
• Peso molecular: 460.400 g/mol
• XLogP3: -2.700
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 460.158 Da
• Monoisotopic Mass: 460.158 Da
• Topological Polar Surface Area: 185.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 619.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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