Compound Identification
SMILES
COC1=C(OC)C2=C(Cl)[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=QIPXBWJSIQBUHB-UHFFFAOYSA-N
Formula
C20H17ClNO4
Mass
370.81
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 Benzodioxoles Anisoles 2-halopyridines Alkyl aryl ethers Pyridinium derivatives Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Benzodioxole - Anisole - 2-halopyridine - Alkyl aryl ether - Aryl chloride - Aryl halide - Benzenoid - Pyridine - Pyridinium - Heteroaromatic compound - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Ether - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen 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