Compound Identification
SMILES
[I-].COC1=C(OC)C2=C[N+]3=C(C(CCC(C4=CC=C(F)C=C4)C4=CC=C(F)C=C4)=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=XKAQZRLVUKDSDO-UHFFFAOYSA-M
Formula
C35H30F2INO4
Mass
693.529
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
Diphenylmethanes Isoquinolines and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Fluorobenzenes Pyridinium derivatives Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic iodide salts Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Diphenylmethane - Isoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Pyridine - Pyridinium - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Acetal - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organopnictogen 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