Compound Identification
SMILES
COC1=C(OC)C2=C[N+]3=C(C(CNC(=O)CC4=CC=CC=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=IYQXJUVQEQAPQH-UHFFFAOYSA-O
Formula
C29H27N2O5
Mass
483.543
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 Phenylacetamides Benzodioxoles Anisoles Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Phenylacetamide - Benzodioxole - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Carboxylic acid derivative - Acetal - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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