Polygalaxanthone III - ≥98% , CAS No.162857-78-5

CAS: 162857-78-5 Cat. No.: P414372 分子式: C₂₅H₂₈O₁₅ 分子量: 568.48 EC番号: 111-835-6 PubChem CID: 11169063

GRADE & PURITY ≥98%

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

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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.

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504766106
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504766106
• カノニカル・スマイル: 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
• 異性体SMILES: 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
• 分子量: 568.48

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 100 mg/mL (175.9 mM)
• 感度: Light sensitive
• 分子量: 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