Compound Identification
SMILES
[Cl-].COC1=C(O)C2=C3CCC[N+]3=C3C4=CC5=C(OCO5)C=C4C=CC3=C2C=C1
InChIKey
InChIKey=FXBDAIVJLCTTAW-UHFFFAOYSA-N
Formula
C22H18ClNO4
Mass
395.84
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 Naphthalenes Isoquinolines and derivatives Benzodioxoles Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-demethylbenzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Isoquinoline - Naphthalene - Quinoline - Benzodioxole - Anisole - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Organoheterocyclic compound - Acetal - Azacycle - Oxacycle - Ether - Organic nitrogen compound - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic salt - 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