Plantagoside - 10mM in DMSO , CAS No.78708-33-5

CAS: 78708-33-5 Cat. No.: P425961 Formula: C₂₁H₂₂O₁₂ Peso molecolare: 466.39 PubChem CID: 174157

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

Plantagoside 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.

Targets

alpha-mannosidase (Cell-free assay) 5 μM

Specifications

Sinonimi

(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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Proprietà del prodotto

• ALogP: -0.04
• Conteggio HBD: 8
• Legame rotabile: 4

Nomi e identificatori

• Pubchem Sid: 528775741
• Sorrisi canonici: 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
• Isomeri 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 molecolare: 466.39

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: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• DMSO (mg/mL) Solubilità massima: 100
• DMSO (mM) Solubilità massima: 214.412830463775
• Acqua (mg/mL) Solubilità massima: -1
• Peso molecolare: 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