Antrodin A - Moligand™,≥98% , CAS No.656830-24-9

CAS: 656830-24-9 Cat. No.: A769772 Fórmula: C₁₉H₂₂O₄ Peso molecular: 314.4 PubChem CID: 10470895

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-isobutyl-4-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)furan-2,5-dione | camphorataanhydride A

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

Antrodin A (camphorataanhydride A) (AdA) is one of the main active ingredients in the solid-state fermented A. camphorata mycelium. It protects the liver from alcohol damage by improving the antioxidant and anti-inflammatory capacity of the liver and maintaining the stability of the intestinal flora.

Specifications

Sinónimos

3-isobutyl-4-(4-((3-methylbut-2-en-1-yl)oxy)phenyl)furan-2,5-dione | camphorataanhydride A

Especificaciones y pureza

Moligand™,≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)CC1=C(C(=O)OC1=O)C2=CC=C(C=C2)OCC=C(C)C
• IUPAC Name: 3-[4-(3-methylbut-2-enoxy)phenyl]-4-(2-methylpropyl)furan-2,5-dione
• InChIKey: ZXIUCXGVUOQMSH-UHFFFAOYSA-N
• INCHI: 1S/C19H22O4/c1-12(2)9-10-22-15-7-5-14(6-8-15)17-16(11-13(3)4)18(20)23-19(17)21/h5-9,13H,10-11H2,1-4H3
• Isómeros SMILES: CC(C)CC1=C(C(=O)OC1=O)C2=CC=C(C=C2)OCC=C(C)C
• PubChem CID: 10470895
• Peso molecular: 314.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Dicarboxylic acids and derivatives Butenolides Carboxylic acid anhydrides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 2-furanone - Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Dihydrofuran - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene 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

Propiedades químicas y físicas

• Peso molecular: 314.400 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 314.152 Da
• Monoisotopic Mass: 314.152 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 515.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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