Rhapontin - ≥98% , CAS No.155-58-8

CAS: 155-58-8 Cat. No.: R138298 Fórmula: C₂₁H₂₄O₉ Peso molecular: 420.41 Número CE: 205-845-0 PubChem CID: 637213

GRADE & PURITY ≥98%

Synonyms

BSPBio_002946 | MFCD00010117 | N,N-Bis(trimethylsilyl)-1,4-butanediamine | Spectrum5_001757 | CHEBI:92176 | (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-((E)-3-hydroxy-4-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | GKAJCVFOJGXVIA-DXKBKAGUS

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

BSPBio_002946 | MFCD00010117 | N,N-Bis(trimethylsilyl)-1,4-butanediamine | Spectrum5_001757 | CHEBI:92176 | (2S,3R,4S,5S,6R)-2-(3-hydroxy-5-((E)-3-hydroxy-4-methoxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol | GKAJCVFOJGXVIA-DXKBKAGUS

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C,Protected from light

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504759617

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759617

Sorrisos canónicos

COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O

IUPAC Name

(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

InChIKey

GKAJCVFOJGXVIA-DXKBKAGUSA-N

INCHI

1S/C21H24O9/c1-28-16-5-4-11(8-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1

SMILES isoméricas

COC1=C(C=C(C=C1)/C=C/C2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

PubChem CID

637213

Peso molecular

420.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Stilbenes
      • Subclass Stilbene glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Stilbenes
• Subclass: Stilbene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbene glycosides
• Alternative Parents: Phenolic glycosides Hexoses O-glycosyl compounds Methoxyphenols Anisoles Styrenes Methoxybenzenes Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Secondary alcohols Acetals Oxacyclic compounds Polyols Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Stilbene glycoside - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Polyol - Alcohol - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as stilbene glycosides. These are compounds structurally characterized by the presence of a carbohydrate moiety glycosidically linked to the stilbene skeleton.
• External Descriptors: Diphenyl ethers, biphenyls, dibenzyls and stilbenes

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

Alvos associados (humanos)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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ACHE Tclin Acetylcholinesterase (18204 Activities)

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HepG2 (196354 Activities)

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KB (17409 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Alvos associados (não humanos)

Mus musculus (284745 Activities)

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Botrytis cinerea (4183 Activities)

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M109 (194 Activities)

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J774 (3120 Activities)

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BCHE Cholinesterase (8742 Activities)

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Biomphalaria glabrata (78 Activities)

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Serum (58 Activities)

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ESR1 Estrogen receptor (4 Activities)

Discover Target: ESR1

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: heat sensitive;light sensitive
• Ponto de fusão (°C): 239 °C
• Peso molecular: 420.400 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 420.142 Da
• Monoisotopic Mass: 420.142 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 559.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 155-58-8, the molecular formula is C21H24O9, and the molecular weight is 420.41 g/mol. InChIKey GKAJCVFOJGXVIA-DXKBKAGUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.