Aurachin D - Moligand™,≥99% , CAS No.108354-13-8

CAS: 108354-13-8 Cat. No.: A1332030 Formule: C₂₅H₃₃NO Poids moléculaire: 363.54

GRADE & PURITY Moligand™, ≥99%

Synonyms

2-Methyl-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)quinolin-4(1H)-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Aurachin D is an antibiotic. Aurachin D inhibits Gram-positive bacteria and a few funguses. Aurachin D blocks NADH oxidation in beef heart submitochondrial particles.

Specifications

Synonymes

2-Methyl-3-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)quinolin-4(1H)-one

Spécifications et pureté

Moligand™,≥99%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CC1=C(C(=O)C2=CC=CC=C2N1)CC=C(C)CCC=C(C)CCC=C(C)C

IUPAC Name

2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-1H-quinolin-4-one

InChIKey

JHMLNOXMSHURLQ-YEFHWUCQSA-N

INCHI

1S/C25H33NO/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26-24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3,(H,26,27)/b19-12+,20-16+

Isomères SMILES

CC1=C(C(=O)C2=CC=CC=C2N1)C/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

CAS alternatif

108354-13-8

Termes d'entrée MeSH

aurachin D;aurachin-D

Poids moléculaire

363.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Hydroquinolones Hydroquinolines Methylpyridines Benzenoids Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sesquiterpenoid - Farsesane sesquiterpenoid - Dihydroquinolone - Dihydroquinoline - Quinoline - Methylpyridine - Pyridine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Quinoline alkaloids

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

Propriétés chimiques et physiques

• Poids moléculaire: 363.500 g/mol
• XLogP3: 7.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 363.256 Da
• Monoisotopic Mass: 363.256 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 643.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1