Compound Identification
SMILES
[Cl-].COC1=C(OCCN(CCN2N=NC3=CC=CC=C23)CC2=C(F)C=C(F)C=C2)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=VQSAIHOXYVIWSW-UHFFFAOYSA-M
Formula
C36H32ClF2N5O4
Mass
672.13
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 Benzotriazoles Benzylamines Phenylmethylamines Anisoles Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Pyridinium derivatives Heteroaromatic compounds Triazoles Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Organic chloride salts Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Isoquinoline - Benzodioxole - Benzotriazole - Anisole - Benzylamine - Phenylmethylamine - Aralkylamine - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Pyridinium - Pyridine - Heteroaromatic compound - Azole - 1,2,3-triazole - Triazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organic chloride salt - Organic salt - Organopnictogen compound - Organohalogen compound - Organofluoride - 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