Compound Identification
SMILES
[H+].[O-]S([O-])(=O)=O.CCC[N+]1=C2C3=CC4=C(OCO4)C=C3C=CC2=C2C=CC(OC)=C(O)C2=C1
InChIKey
InChIKey=PVTOGAWRKYBKCQ-UHFFFAOYSA-N
Formula
C22H21NO8S
Mass
459.47
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 Isoquinolines and derivatives Naphthalenes Benzodioxoles Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridinium derivatives Organic sulfate salts Organic sulfuric acids and derivatives Heteroaromatic compounds Acetals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides 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 - Organic sulfate salt - Benzenoid - Heteroaromatic compound - Organic sulfuric acid or derivatives - Organoheterocyclic compound - Ether - Acetal - Azacycle - Oxacycle - Organic oxygen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organopnictogen 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