Compound Identification
SMILES
COC1=C(O)C2=C3CCC[N+]3=C3C4=CC(OC)=C(O)C=C4C=CC3=C2C=C1
InChIKey
InChIKey=YQDLXZKVNIBBPX-UHFFFAOYSA-O
Formula
C22H20NO4
Mass
362.404
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Benzophenanthridine alkaloids
Subclass
N-demethylbenzophenanthridine alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
N-demethylbenzophenanthridine alkaloids
Alternative Parents
Phenanthridines and derivatives Naphthols and derivatives Isoquinolines and derivatives Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyridinium derivatives Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-demethylbenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - 2-naphthol - Isoquinoline - Naphthalene - Quinoline - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as n-demethylbenzophenanthridine alkaloids. These are alkaloids containing a N-demethylbenzophenanthridine skeleton, which consists of a benzene ring fused to one benzene moiety of the tricyclic phenanthiridine system. These compounds do not carry a methyl group at the N-atom of the phenanthridine moiety, in contrast to other benzophenanthridine alkaloids.
External Descriptors
Not available