Epigalanthamin , CAS No.3449

CAS: 3449 Cat. No.: E1364720 Formula: C₁₇H₂₁NO₃ Peso molecolare: 287.35

Storage

Room temperature

Shipped In

Normal

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

• Sorrisi canonici: CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O
• IUPAC Name: 9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ol
• InChIKey: ASUTZQLVASHGKV-UHFFFAOYSA-N
• INCHI: 1S/C17H21NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-6,12,14,19H,7-10H2,1-2H3
• Peso molecolare: 287.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Classe Amaryllidaceae alkaloids
      • Subclass Galanthamine-type amaryllidaceae alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Amaryllidaceae alkaloids
• Subclass: Galanthamine-type amaryllidaceae alkaloids
• Intermediate Tree Nodes: Not available
• Direct Parent: Galanthamine-type amaryllidaceae alkaloids
• Alternative Parents: Benzazepines Coumarans Anisoles Azepines Aralkylamines Alkyl aryl ethers Trialkylamines Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Galanthamine-type amaryllidaceae alkaloid - Benzazepine - Coumaran - Anisole - Alkyl aryl ether - Azepine - Aralkylamine - Benzenoid - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Ether - Oxacycle - Organoheterocyclic compound - Azacycle - Amine - Organic nitrogen compound - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as galanthamine-type amaryllidaceae alkaloids. These are amaryllidaceae alkaloids with a structure characterized a tetracyclic skeleton with two ortho aromatic protons in ring A.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 287.350 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 287.152 Da
• Monoisotopic Mass: 287.152 Da
• Topological Polar Surface Area: 41.900 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1