Compound Identification
SMILES
COC1=C(OC)C2=C(C=C1)C(C=O)=C1N(CCC3=CC4=C(OCO4)C=C13)C2C(Cl)(Cl)Cl
InChIKey
InChIKey=SKLGUSDGDGKUHE-UHFFFAOYSA-N
Formula
C22H18Cl3NO5
Mass
482.74
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 Oxacyclic compounds Azacyclic compounds Enamines Organochlorides Organopnictogen compounds Aldehydes Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Cinnamaldehyde - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Vinylogous amide - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Acetal - Enamine - Ether - Organoheterocyclic compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aldehyde - Hydrocarbon derivative - Amine - 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