Isorhapontigenin - ≥96%(HPLC) , CAS No.32507-66-7

CAS: 32507-66-7 Cat. No.: I157676 Fórmula: C₁₅H₁₄O₄ Peso molecular: 258.27 Número EC: 803-480-7

CALIDAD & PUREZA ≥96%(HPLC)

Synonyms

1,3-Benzenediol, 5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-|(E)-5-(4-hydroxy-3-methoxystyryl)benzene-1,3-diol|3,4',5-STILBENETRIOL, 3'-METHOXY-, (E)-|5-[(1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL]-1,3-BENZENEDIOL|5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzenediol|5-((1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)-1,3-BENZENEDIOL|1,3-BENZENEDIOL, 5-(2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)-, (E)-|3,4',5-Trihydroxy-3'-methoxy-trans-stilbene|Isorhapontigenin|Aethylidenmilchsaeure|ISOR|5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol|1,3-Benzenediol, 5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-|Isorhapotogenin|3'-Methoxyresveratrol|3'-methoxy-resveratrol|3,5,4'-trihydroxy-3'-methoxy-trans-stilbene|5-[(E)-2-(4-hydroxy-3-methoxy-phenyl)vinyl]benzene-1,3-diol

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Especificaciones

Sinónimos

1,3-Benzenediol, 5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]- | (E)-5-(4-hydroxy-3-methoxystyryl)benzene-1,3-diol | 3,4',5-STILBENETRIOL, 3'-METHOXY-, (E)- | 5-[(1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL]-1,3-BENZENEDIOL | 5-[2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzenediol | 5-((1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)-1,3-BENZENEDIOL Show more

Especificaciones y pureza

≥96%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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

Pureza

≥96%(HPLC)

Nombres e identificadores

Pubchem Sid

488195336

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195336

Sonrisas canónicas

COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O)O)O

IUPAC Name

5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol

InChIKey

ANNNBEZJTNCXHY-NSCUHMNNSA-N

INCHI

1S/C15H14O4/c1-19-15-8-10(4-5-14(15)18)2-3-11-6-12(16)9-13(17)7-11/h2-9,16-18H,1H3/b3-2+

Isómeros SMILES

COC1=C(C=CC(=C1)/C=C/C2=CC(=CC(=C2)O)O)O

WGK Alemania

3

Peso molecular

258.27

Reaxy-Rn

2285028

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2285028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Methoxyphenols Styrenes Resorcinols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Resorcinol - Styrene - Methoxybenzene - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

Objetivos asociados (no humanos)

Mus musculus (284745 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: air & heat & light sensitive
• Punto de fusión (°C): 182 °C
• Peso molecular: 258.269 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 258.089 Da
• Monoisotopic Mass: 258.089 Da
• Topological Polar Surface Area: 69.900 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 295.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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