Picrosídeo I - ≥98%(HPLC) , CAS No.27409-30-9

CAS: 27409-30-9 Cat. No.: P169196 Fórmula: C₂₄H₂₈O₁₁ Peso molecular: 492.47 Número CE: 248-445-1 PubChem CID: 6440892

GRADE & PURITY ≥98%(HPLC)

Synonyms

AKOS015896740 | DTXSID101318188 | EINECS 248-445-1 | AS-56345 | Amphicoside I | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-eno

Storage

Protegido da luz, conservar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Visão geral

O picrosídeo I é o principal ingrediente da Picrorhiza scrophulariiflora. A Picrorhiza scrophulariiflora é uma erva medicinal de elevado valor devido à sua rica fonte de metabolitos hepatoprotectores, Picroside-I e Picroside-II. O picrosídeo I é um agente promissor para o tratamento da asma. O picrosídeo I reduz significativamente a inflamação na sua dose mais elevada. O picrosídeo I também regula negativamente as expressões de pSTAT6 e GATA3. O picrosídeo I aumenta de forma dependente da dose os níveis séricos de IFN-γ.

Specifications

Sinónimos

AKOS015896740 | DTXSID101318188 | EINECS 248-445-1 | AS-56345 | Amphicoside I | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-eno

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Protegido da luz, conservar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 488195791
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195791
• Sorrisos canónicos: C1=CC=C(C=C1)C=CC(=O)OCC2C(C(C(C(O2)OC3C4C(C=CO3)C(C5C4(O5)CO)O)O)O)O
• IUPAC Name: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl (E)-3-phenylprop-2-enoate
• InChIKey: XZGPUOQGERGURE-LUVHZPKESA-N
• INCHI: 1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
• SMILES isoméricas: C1=CC=C(C=C1)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4[C@@H](C=CO3)[C@@H]([C@H]5[C@@]4(O5)CO)O)O)O)O
• PubChem CID: 6440892
• Peso molecular: 492.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives
      • Subclass Cinnamic acid esters

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Cinnamic acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid esters
• Alternative Parents: O-glycosyl compounds Styrenes Fatty acid esters Monosaccharides Oxanes Enoate esters Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Polyols Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinnamic acid ester - Glycosyl compound - O-glycosyl compound - Styrene - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Oxane - Cyclic alcohol - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Polyol - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as cinnamic acid esters. These are compound containing an ester derivative of cinnamic acid.
• 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

Alvos associados (não humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Heat Sensitive；Light sensitive
• Ponto de fusão (°C): 130 °C
• Peso molecular: 492.500 g/mol
• XLogP3: -1.100
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 492.163 Da
• Monoisotopic Mass: 492.163 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 826.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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