Polygalaxanthone III - 10mM in DMSO , CAS No.162857-78-5

CAS: 162857-78-5 Cat. No.: P421995 Fórmula: C₂₅H₂₈O₁₅ Peso molecular: 568.48 Número CE: 111-835-6 PubChem CID: 11169063

GRADE & PURITY 10mM in DMSO

Synonyms

AKOS032946068 | CCG-270082 | s9241 | 2-(6-o-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-one | 9H-XANTHEN-9-ONE, 2-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-1,3,6-TRIHYDROXY-7-METHOXY- | 9H-Xanthen-9

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

Polygalaxanthone III is a natural product with the efficacy of tranquilization, glaangal, eliminating sputum and detumescence. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed byCYP2E1with an IC50 of 50.56 μM.

Targets

CYP2E1 (Cell-free assay) 50.56 μM

Specifications

Sinónimos

AKOS032946068 | CCG-270082 | s9241 | 2-(6-o-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)-1,3,6-trihydroxy-7-methoxy-9H-xanthen-9-one | 9H-XANTHEN-9-ONE, 2-(6-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)-1,3,6-TRIHYDROXY-7-METHOXY- | 9H-Xanthen-9

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Polygalaxanthone III is a natural product with the efficacy of tranquilization, glaangal, eliminating sputum and detumescence. Polygalaxanthone III inhibits chlorzoxazone 6-hydroxylation catalyzed by CYP2E1 with an IC50 of 50.56 μM.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Nomes e identificadores

• Pubchem Sid: 528775806
• Sorrisos canónicos: COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O)O
• IUPAC Name: 2-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-1,3,6-trihydroxy-7-methoxyxanthen-9-one
• InChIKey: LLJUCXMVRPAONX-AYATVRNWSA-N
• INCHI: 1S/C25H28O15/c1-36-12-2-8-11(3-9(12)27)39-13-4-10(28)15(19(31)16(13)17(8)29)22-21(33)20(32)18(30)14(40-22)5-37-24-23(34)25(35,6-26)7-38-24/h2-4,14,18,20-24,26-28,30-35H,5-7H2,1H3/t14-,18-,20+,21-,22+,23+,24-,25-/m1/s1
• SMILES isoméricas: COC1=C(C=C2C(=C1)C(=O)C3=C(O2)C=C(C(=C3O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@](CO5)(CO)O)O)O)O)O)O)O
• PubChem CID: 11169063
• Peso molecular: 568.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans
        • Level5 Dibenzopyrans
          • Level6 Xanthenes
            • Level7 Xanthones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Dibenzopyrans - Xanthenes
• Direct Parent: Xanthones
• Alternative Parents: Phenolic glycosides C-glycosyl compounds Chromones Disaccharides O-glycosyl compounds Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Tertiary alcohols Vinylogous acids Oxolanes Heteroaromatic compounds Secondary alcohols Dialkyl ethers Oxacyclic compounds Polyols Acetals Primary alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenolic glycoside - Xanthone - O-glycosyl compound - Glycosyl compound - Disaccharide - C-glycosyl compound - Chromone - Anisole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Pyran - Oxane - Benzenoid - Oxolane - Tertiary alcohol - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Acetal - Oxacycle - Dialkyl ether - Ether - Polyol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary alcohol - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as xanthones. These are polycyclic aromatic compounds containing a xanthene moiety conjugated to a ketone group at carbon 9. Xanthene is a tricyclic compound made up of two benzene rings linearly fused to each other through a pyran ring.
• 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

Propriedades químicas e físicas

• Peso molecular: 568.500 g/mol
• XLogP3: -1.800
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 6
• Exact Mass: 568.143 Da
• Monoisotopic Mass: 568.143 Da
• Topological Polar Surface Area: 245.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 907.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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