Plantagoside - ≥98% , CAS No.78708-33-5

CAS: 78708-33-5 Cat. No.: P412869 Fórmula: C₂₁H₂₂O₁₂ Peso molecular: 466.39 PubChem CID: 174157

GRADE & PURITY ≥98%

Synonyms

(S)-2-(3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-5,7-dihydroxychroman-4-one | UNII-FR4TR9587N | Plantagoside | Q27155118 | 4H-1-BENZOPYRAN-4-ONE, 2-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(S)-2-(3,4-Dihydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)phenyl)-5,7-dihydroxychroman-4-one | UNII-FR4TR9587N | Plantagoside | Q27155118 | 4H-1-BENZOPYRAN-4-ONE, 2-(3-(.BETA.-D-GLUCOPYRANOSYLOXY)-4,5-DIHYDRO

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Plantagoside, a flavanone glucoside isolated from the seeds of Plantago asiatica, is a specific and non-competitive alpha-mannosidase inhibitor with IC50 of 5 μM.

Condiciones de almacenamiento de almacenamiento

Protected from light,Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Propiedades del producto

ALogP

-0.04

Recuento HBD

8

Enlace rotable

4

Nombres e identificadores

Pubchem Sid

504757675

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757675

Sonrisas canónicas

C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)OC4C(C(C(C(O4)CO)O)O)O)O)O

IUPAC Name

(2S)-2-[3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one

InChIKey

SNFFBROYEDWRGB-NHXQFOETSA-N

INCHI

1S/C21H22O12/c22-6-15-18(28)19(29)20(30)21(33-15)32-14-2-7(1-11(26)17(14)27)12-5-10(25)16-9(24)3-8(23)4-13(16)31-12/h1-4,12,15,18-24,26-30H,5-6H2/t12-,15+,18+,19-,20+,21+/m0/s1

Isómeros SMILES

C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C(=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O

PubChem CID

174157

Peso molecular

466.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Flavonoids
      • Subclass Flavonoid glycosides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid O-glycosides
• Alternative Parents: 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Flavanones Phenolic glycosides Hexoses Chromones O-glycosyl compounds Aryl alkyl ketones Catechols Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Vinylogous acids Secondary alcohols Acetals Polyols Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid o-glycoside - Flavonoid-3p-o-glycoside - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Flavanone - Flavan - Phenolic glycoside - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Chromone - 1-benzopyran - Chromane - Benzopyran - Phenoxy compound - Catechol - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Oxane - Vinylogous acid - Ketone - Secondary alcohol - Organoheterocyclic compound - Polyol - Acetal - Ether - Oxacycle - Primary alcohol - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as flavonoid o-glycosides. These are compounds containing a carbohydrate moiety which is O-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone.
• External Descriptors: flavanones

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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (214.41 mM)
• Sensibilidad: Moisture sensitive；Light sensitive
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 214.412830463775
• Agua (mg/ml) Solubilidad máxima: -1
• Peso molecular: 466.400 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 466.111 Da
• Monoisotopic Mass: 466.111 Da
• Topological Polar Surface Area: 207.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 692.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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