Liquiritin apioside - ≥98% , CAS No.74639-14-8

CAS: 74639-14-8 Cat. No.: L412656 Formule: C₂₆H₃₀O₁₃ Poids moléculaire: 550.51

GRADE & PURITY ≥98%

Synonyms

UNII-8T57TH2CCD | CHEBI:191629 | LIQUIRITIN APIOSIDE [INCI] | DTXCID301334003 | Liquiritigenin 4'-o-apiosyl-O-glucoside | Liquiritigenin-4'-o-apiosyl(1->2)glucoside | AKOS037514724 | DTXSID20904894 | 8T57TH2CCD | (S)-2-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Liquiritin apioside is a main flavonoid component of licorice that possesses antitussive effects.

Specifications

Synonymes

UNII-8T57TH2CCD | CHEBI:191629 | LIQUIRITIN APIOSIDE [INCI] | DTXCID301334003 | Liquiritigenin 4'-o-apiosyl-O-glucoside | Liquiritigenin-4'-o-apiosyl(1->2)glucoside | AKOS037514724 | DTXSID20904894 | 8T57TH2CCD | (S)-2-(4-(((2S,3R,4S,5S,6R)-3-(((2S,3R,4R)

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Liquiritin apioside is a main flavonoid component of licorice that possesses antitussive effects.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

528775151

Sourires canoniques

C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(CO5)(CO)O)O

IUPAC Name

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

InChIKey

FTVKHUHJWDMWIR-DWMQJYMWSA-N

INCHI

1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1

Isomères SMILES

C1[C@H](OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@](CO5)(CO)O)O

Poids moléculaire

550.51

Reaxy-Rn

51803165

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=51803165&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Flavonoids
• Subclass: Flavonoid glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavonoid O-glycosides
• Alternative Parents: 7-hydroxyflavonoids Flavanones Phenolic glycosides Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Chromones O-glycosyl compounds Disaccharides Phenoxy compounds Phenol ethers Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Tertiary alcohols Oxolanes Secondary alcohols Oxacyclic compounds Acetals Primary alcohols Aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavonoid o-glycoside - Flavonoid-4p-o-glycoside - Hydroxyflavonoid - 7-hydroxyflavonoid - Flavanone - Flavan - Phenolic glycoside - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Alkyl glycoside - Glycosyl compound - O-glycosyl compound - Chromone - Disaccharide - Benzopyran - Chromane - 1-benzopyran - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Oxane - Tertiary alcohol - Oxolane - Secondary alcohol - Ketone - Ether - Organoheterocyclic compound - Acetal - Oxacycle - Primary alcohol - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: 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: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Sensibilité: Light sensitive
• Poids moléculaire: 550.500 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 7
• Exact Mass: 550.169 Da
• Monoisotopic Mass: 550.169 Da
• Topological Polar Surface Area: 205.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 837.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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