Zanthobungeanine - ≥95% , CAS No.64190-94-9

CAS: 64190-94-9 Cat. No.: Z997182 PubChem CID: 5315422

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC1(C=CC2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)C
• IUPAC Name: 7-methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
• InChIKey: SYNIFQKDJZQOLI-UHFFFAOYSA-N
• INCHI: 1S/C16H17NO3/c1-16(2)9-8-11-14(20-16)10-6-5-7-12(19-4)13(10)17(3)15(11)18/h5-9H,1-4H3
• Isomeric SMILES: CC1(C=CC2=C(O1)C3=C(C(=CC=C3)OC)N(C2=O)C)C
• PubChem CID: 5315422

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranoquinolines
• Alternative Parents: Hydroquinolones Pyranopyridines Hydroquinolines Anisoles Pyridinones Alkyl aryl ethers Pyrans Vinylogous esters Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranoquinoline - Dihydroquinolone - Dihydroquinoline - Pyranopyridine - Anisole - Alkyl aryl ether - Pyridinone - Pyran - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous ester - Lactam - Oxacycle - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranoquinolines. These are polycyclic compounds containing a pyran ring fused to a quinoline moiety. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• 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: 271.310 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 271.121 Da
• Monoisotopic Mass: 271.121 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 492.000
• 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