Compound Identification
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.COC1=C(OC)C2=C[N+]3=C(C=C2C=C1)C1=CC2=C(OCO2)C=C1CC3
InChIKey
InChIKey=NWQKCAHQWFFIHG-UHFFFAOYSA-N
Formula
C26H26NO11
Mass
528.489
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 Tricarboxylic acids and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Pyridinium derivatives Alpha hydroxy acids and derivatives Tertiary alcohols Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organic cations
Molecular Framework
Not available
Substituents
Protoberberine skeleton - Isoquinoline - Benzodioxole - Tricarboxylic acid or derivatives - Anisole - Alkyl aryl ether - Alpha-hydroxy acid - Hydroxy acid - Pyridine - Benzenoid - Pyridinium - Heteroaromatic compound - Tertiary alcohol - Acetal - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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