Compound Identification
SMILES
[Cl-].CCOC(=O)CC1=CC=C(OCCOC2=C(OC)C=CC3=CC4=[N+](CCC5=CC6=C(OCO6)C=C45)C=C23)C=C1
InChIKey
InChIKey=PIJBOUDVZGNGDB-UHFFFAOYSA-M
Formula
C31H30ClNO7
Mass
564.03
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 Phenoxy compounds Anisoles Alkyl aryl ethers Pyridinium derivatives Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Acetals Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic chloride salts Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Benzodioxole - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Acetal - Azacycle - Oxacycle - Ether - Monocarboxylic acid or derivatives - Organic salt - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic chloride salt - Carbonyl group - Organic oxide - Organopnictogen 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