Compound Identification
SMILES
[Br-].CCCCCCC1=C2C(OC)=C(OC)C=C(Br)C2=CC2=[N+]1CCC1=CC3=C(OCO3)C=C21
InChIKey
InChIKey=MVEQVPOBJHXAQL-UHFFFAOYSA-M
Formula
C26H29Br2NO4
Mass
579.329
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 Alkyl aryl ethers Pyridinium derivatives Aryl bromides Heteroaromatic compounds Acetals Oxacyclic compounds Azacyclic compounds Organobromides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic bromide salts Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aryl bromide - Aryl halide - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Acetal - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic bromide salt - Organopnictogen compound - Organic 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