Compound Identification
SMILES
COC1=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C2OCOC2=C1
InChIKey
InChIKey=RNSBFHHWMMKJAM-UHFFFAOYSA-N
Formula
C21H16NO5
Mass
362.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Benzophenanthridine alkaloids
Subclass
Quaternary benzophenanthridine alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Quaternary benzophenanthridine alkaloids
Alternative Parents
Phenanthridines and derivatives Naphthalenes Isoquinolines and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quaternary benzophenanthridine alkaloid skeleton - Benzoquinoline - Phenanthridine - Isoquinoline - Naphthalene - Quinoline - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Pyridine - Pyridinium - Heteroaromatic compound - Acetal - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quaternary benzophenanthridine alkaloids. These are alkaloids containing a quaternary N-demethylbenzophenanthridine skeleton, where the nitrogen atom of the phenanthridine moiety is part of four bonds.
External Descriptors
CHEBI:17031 :
organic cation - benzophenanthridine alkaloid
KEGG (C06327) :
Isoquinoline alkaloids
META CYC (CPD-9893) :
an alkaloid