Compound Identification
SMILES
COC1=C[C@]23CCN(C)[C@@H](CCc4cc(OC)c(O)c(OC)c24)C3=CC1=O
InChIKey
InChIKey=ABMMKLCVJJTPJD-QKKBWIMNSA-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 Piperidines Trialkylamines Cyclic ketones Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Androcymbine alkaloid skeleton - Isoquinolone - Anisole - Alkyl aryl ether - Aralkylamine - Piperidine - Benzenoid - Ketone - Tertiary amine - Tertiary aliphatic amine - Cyclic ketone - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - 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