19-(Z)-Akuammidine - ≥95% , CAS No.113973-31-2

CAS: 113973-31-2 Cat. No.: A664062 Molecular Weight: 352.4 PubChem CID: 597842

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC
• IUPAC Name: methyl 15-ethylidene-13-(hydroxymethyl)-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carboxylate
• InChIKey: RCEFXZXHYFOPIE-UHFFFAOYSA-N
• INCHI: 1S/C21H24N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,15,17-18,22,24H,8-11H2,1-2H3
• Isomeric SMILES: CC=C1CN2C3CC1C(C2CC4=C3NC5=CC=CC=C45)(CO)C(=O)OC
• PubChem CID: 597842
• Molecular Weight: 352.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Class Macroline alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Class: Macroline alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macroline alkaloids
• Alternative Parents: Corynanthean-type alkaloids Vobasan alkaloids Beta carbolines 3-alkylindoles Piperidinecarboxylic acids Quinuclidines Aralkylamines Beta hydroxy acids and derivatives Benzenoids Heteroaromatic compounds 1,3-aminoalcohols Pyrroles Methyl esters Amino acids and derivatives Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Primary alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Pyridoindole - Beta-carboline - 3-alkylindole - Piperidinecarboxylic acid - Indole - Indole or derivatives - Quinuclidine - Beta-hydroxy acid - Aralkylamine - Piperidine - Hydroxy acid - Benzenoid - Heteroaromatic compound - 1,3-aminoalcohol - Pyrrole - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.
• 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