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

CAS: 656830-24-9 Cat. No.: A769772 Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%

Storage

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

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CC(C)CC1=C(C(=O)OC1=O)C2=CC=C(C=C2)OCC=C(C)C
• PubChem CID: 10470895
• Molecular Weight: 314.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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