Compound Identification
SMILES
COC1OC2C(C3=C1C1=C(OCO1)C=C3)[N+](C)([O-])CCC1=CC3=C(OCO3)C=C21
InChIKey
InChIKey=CWSIWHBFLLUFNS-UHFFFAOYSA-N
Formula
C21H21NO7
Mass
399.399
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Rhoeadine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Rhoeadine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Rhoeadine alkaloids
Alternative Parents
Benzazepines 2-benzopyrans Benzodioxoles Azepines Benzenoids Trialkyl amine oxides Trisubstituted amine oxides and derivatives Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Rhoeadine-skeleton - Benzazepine - Benzopyran - Isochromane - 2-benzopyran - Benzodioxole - Azepine - Benzenoid - Trialkyl amine oxide - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Trisubstituted n-oxide - N-oxide - Organopnictogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as rhoeadine alkaloids. These are alkaloids with a structure based on rhoeadine. They usually contain a benzazepine system fused with a six-membered hemiacetal or acetal.
External Descriptors
Not available