Compound Identification
SMILES
CC([O-])=O.CCC1=C2C=CC(OC)=C(OCC3=C(F)C(F)=C(F)C(F)=C3F)C2=C[N+]2=C1C1=CC(OC)=C(OC)C=C1CC2
InChIKey
InChIKey=ZVIVQGRRJZZKLH-UHFFFAOYSA-M
Formula
C31H28F5NO6
Mass
605.558
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 Anisoles Alkyl aryl ethers Fluorobenzenes Pyridinium derivatives Aryl fluorides Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides Organic cations
Molecular Framework
Not available
Substituents
Protoberberine skeleton - Isoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridinium - Pyridine - Heteroaromatic compound - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - 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