Compound Identification
SMILES
COC1=C[C@@]23CCN(C)[C@@H](CCC4=CC(OC)=C(OC)C(O)=C24)C3=CC1=O
InChIKey
InChIKey=XGLLFVAWDVSAJU-LHSJRXKWSA-N
Formula
C21H25NO5
Mass
371.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Androcymbine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Androcymbine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Androcymbine alkaloids
Alternative Parents
Isoquinolones and derivatives Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Piperidines Trialkylamines Cyclic ketones Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Androcymbine alkaloid skeleton - Isoquinolone - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Aralkylamine - Benzenoid - Piperidine - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as androcymbine alkaloids. These are alkaloids with a structure that is based on the androcymbine skeleton. This is a tetracyclic compound analogous to dibenzocycloheptane, where one benzene ring carries a ketone.
External Descriptors
Not available