Compound Identification
SMILES
COC1=C(OC)C2=C(C=C1)C(C=O)=C1N(CCC3=CC4=C(OCO4)C=C13)C2=C(Cl)Cl
InChIKey
InChIKey=IJHFOZDRHGKZTQ-UHFFFAOYSA-N
Formula
C22H17Cl2NO5
Mass
446.28
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
Tetrahydroisoquinolines Cinnamaldehydes Benzodioxoles Anisoles Alkyl aryl ethers Aralkylamines Vinylogous amides Trialkylamines Acetals Vinyl chlorides Oxacyclic compounds Azacyclic compounds Chloroalkenes Enamines Organochlorides Organopnictogen compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Cinnamaldehyde - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Vinylogous amide - Tertiary aliphatic amine - Tertiary amine - Chloroalkene - Organoheterocyclic compound - Ether - Azacycle - Vinyl halide - Vinyl chloride - Oxacycle - Acetal - Enamine - Haloalkene - Organic oxygen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Aldehyde - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - 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