Compound Identification
SMILES
[Cl-].COC1=C(OC)C2=C[N+]3=C(C(CC4COC5=CC=CC=C5O4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=BTUJKYJTNKWRCK-UHFFFAOYSA-M
Formula
C29H26ClNO6
Mass
519.98
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
Benzo-1,4-dioxanes Isoquinolines and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Para dioxins Pyridinium derivatives Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Benzo-1,4-dioxane - Benzodioxane - Isoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Para-dioxin - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Azacycle - Acetal - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic salt - Organic chloride salt - 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