Compound Identification
SMILES
COC1=C(NCC2=CC=CC=C2)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=XEDNRGSTIPLFLT-UHFFFAOYSA-O
Formula
C26H23N2O3
Mass
411.48
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Protoberberine alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Protoberberine alkaloids and derivatives
Alternative Parents
Isoquinolines and derivatives Methoxyanilines Benzodioxoles Phenylmethylamines Anisoles Benzylamines Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Benzodioxole - Methoxyaniline - Anisole - Benzylamine - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Secondary amine - Acetal - Organopnictogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as protoberberine alkaloids and derivatives. These are alkaloids with a structure based on a protoberberine moiety, which consists of a 5,6-dihydrodibenzene moiety fused to a quinolizinium and forming 5,6-Dihydrodibenzo(a,g)quinolizinium skeleton.
External Descriptors
Not available