Compound Identification
SMILES
COC1=CC23C(O)CN(C)C(CCC4=C2C(OC)=C(OC)C(OC)=C4)C3=CC1=O
InChIKey
InChIKey=PKZHXMSPKLVIRC-UHFFFAOYSA-N
Formula
C22H27NO6
Mass
401.459
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 Secondary alcohols Cyclic ketones 1,2-aminoalcohols 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 - 1,2-aminoalcohol - Ketone - Secondary alcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organooxygen compound - Alcohol - Organic oxygen compound - 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