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

CAS: 32507-66-7 Cat. No.: I157676 Summenformel: C₁₅H₁₄O₄ Molekulargewicht: 258.27 EG-Nummer: 803-480-7

QUALITÄT & REINHEIT ≥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

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥96%(HPLC)

Storage

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

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥96%(HPLC)

Namen und Kennungen

Pubchem Sid

488195336

Pubchem Sid Url

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

Kanonisches Lächeln

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+

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air & heat & light sensitive
• Schmelzpunkt (°C): 182 °C
• Molekulargewicht: 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