Compound Identification
SMILES
COC1=C(OC)C2=C(C=C1)C=C1N(CCC3=CC4=C(OCO4)C=C13)C2C(C)=O
InChIKey
InChIKey=ZNKRTSYPMRWPTD-UHFFFAOYSA-N
Formula
C22H21NO5
Mass
379.412
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 Benzodioxoles Anisoles Aralkylamines Alkyl aryl ethers Alpha-amino ketones Trialkylamines Oxacyclic compounds Enamines Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Aralkylamine - Benzenoid - Alpha-aminoketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Enamine - Ether - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Aldehyde - 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