Compound Identification
SMILES
[Cl-].COC1=C(OCCN(CCSC2=NC3=CC=CC=C3N2)CC2=C(F)C=C(F)C=C2)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=QEJUYRFNOSIOJN-UHFFFAOYSA-M
Formula
C37H33ClF2N4O4S
Mass
703.2
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 Benzimidazoles Benzodioxoles Benzylamines Anisoles Phenylmethylamines Alkyl aryl ethers Alkylarylthioethers Aralkylamines Fluorobenzenes Pyridinium derivatives Aryl fluorides Imidazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Sulfenyl compounds Acetals Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic chloride salts Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Benzimidazole - Benzodioxole - Anisole - Aryl thioether - Benzylamine - Phenylmethylamine - Halobenzene - Aralkylamine - Fluorobenzene - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Pyridine - Pyridinium - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Organoheterocyclic compound - Acetal - Thioether - Sulfenyl compound - Azacycle - Hydrocarbon derivative - Organic chloride salt - Organic oxygen compound - Organohalogen compound - Amine - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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