Compound Identification
SMILES
COC(=O)C1C2N(CCC3=CC4=C(OCO4)C=C23)C(=O)C2=C1C=CC(OC)=C2OC
InChIKey
InChIKey=LGUXFWYHRONUJG-UHFFFAOYSA-N
Formula
C22H21NO7
Mass
411.41
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
Isoquinolones and derivatives Tetrahydroisoquinolines Benzodioxoles Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Methyl esters Lactams Acetals Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Protoberberine skeleton - Tetrahydroprotoberberine skeleton - Isoquinolone - Tetrahydroisoquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Acetal - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - 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