Compound Identification
SMILES
COC1=CC2=C(C=C1)C1=C(N2)C2CC3C4COC1C4N2C\C3=C\C
InChIKey
InChIKey=XJTWLFBHBFSVRS-KMKOMSMNSA-N
Formula
C20H22N2O2
Mass
322.408
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Macroline alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Macroline alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macroline alkaloids
Alternative Parents
Vobasan alkaloids Ajmaline-sarpagine alkaloids Beta carbolines 3-alkylindoles Quinuclidines Anisoles Alkyl aryl ethers Aralkylamines Piperidines Oxolanes Pyrroles Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Sarpagine-skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Anisole - Phenol ether - Quinuclidine - Alkyl aryl ether - Aralkylamine - Benzenoid - Piperidine - Heteroaromatic compound - Oxolane - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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