Eleutherin - Moligand™,≥98% , CAS No.478-36-4

CAS: 478-36-4 Cat. No.: E1022700 Molecular Weight: 272.30

GRADE & PURITY Moligand™, ≥98%

Synonyms

(1R,3S)-9-Methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione | (+)-Eleutherin | Anti-Human IL17A/IL-17F Recombinant Antibody

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Eleutherin is a naphthoquinone derivative that can be isolated from red onions and has protective effects on human umbilical vein endothelial cells.

Specifications

Synonyms

(1R, 3S)-9-Methoxy-1, 3-dimethyl-3, 4-dihydro-1H-benzo[g]isochromene-5, 10-dione | (+)-Eleutherin | Anti-Human IL17A/IL-17F Recombinant Antibody

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C[C@H]1CC2=C([C@H](O1)C)C(=O)C3=C(C2=O)C=CC=C3OC
• IUPAC Name: (1R,3S)-9-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
• InChIKey: IAJIIJBMBCZPSW-DTWKUNHWSA-N
• INCHI: 1S/C16H16O4/c1-8-7-11-13(9(2)20-8)16(18)14-10(15(11)17)5-4-6-12(14)19-3/h4-6,8-9H,7H2,1-3H3/t8-,9+/m0/s1
• Molecular Weight: 272.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Isochromanequinones
      • Subclass Benzoisochromanequinones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Isochromanequinones
• Subclass: Benzoisochromanequinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoisochromanequinones
• Alternative Parents: Naphthopyranones Naphthoquinones Quinones Aryl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoisochromanequinone - Naphthopyranone - Naphthopyran - Naphthoquinone - Naphthalene - Anisole - Aryl ketone - Quinone - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Ketone - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoisochromanequinones. These are benzo derivatives of isochromanequinones. Isochromanequinones are structurally characterized by a quinone fused to an isochromane, and forming a naphtho[2,3-c]pyran-6,9-dione skeleton.
• External Descriptors: benzoisochromanequinone

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

• Sensitivity: Light sensitive
• Molecular Weight: 272.290 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 272.105 Da
• Monoisotopic Mass: 272.105 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 479.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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