Compound Identification
SMILES
CC1=CC=C(C=C1)S([O-])(=O)=O.COC1=C(O)C2=C[N+](C)=C3C4=CC(O)=C(O)C=C4C=CC3=C2C=C1
InChIKey
InChIKey=ONYRPSCOIGWGTP-UHFFFAOYSA-N
Formula
C26H23NO7S
Mass
493.53
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 Naphthols and derivatives p-Methylbenzenesulfonates Tosyl compounds Isoquinolines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Pyridinium derivatives Organosulfonic acids Heteroaromatic compounds Sulfonyls Azacyclic compounds Polyols Organic zwitterions Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Not available
Substituents
Quaternary benzophenanthridine alkaloid skeleton - Phenanthridine - Benzoquinoline - P-methylbenzenesulfonate - 2-naphthol - Isoquinoline - Naphthalene - Quinoline - Benzenesulfonate - Tosyl compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Toluene - Benzenoid - Pyridine - Monocyclic benzene moiety - Pyridinium - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Azacycle - Ether - Polyol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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
Not available