Compound Identification
SMILES
COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34N(CC[C@]23CC(=O)C(OC)=C4OC)C(C)=O)[C@@H]1C(C)=O
InChIKey
InChIKey=YLUMEWRSAJCJKU-KDAIUHROSA-N
Formula
C22H26ClNO7
Mass
451.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Acutumine and related alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Acutumine and related alkaloids
Alternative Parents
Indoles and derivatives N-acylpyrrolidines Cyclohexenones Vinylogous esters Tertiary carboxylic acid amides Acetamides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Acutumine skeketon - Indole or derivatives - N-acylpyrrolidine - Cyclohexenone - Acetamide - Pyrrolidine - Vinylogous ester - Tertiary carboxylic acid amide - Carboxamide group - Ketone - Cyclic ketone - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Alkyl halide - Organonitrogen compound - Organooxygen compound - Alkyl chloride - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as acutumine and related alkaloids. These are alkaloids with a structure based on the tricyclic acutumine skeleton, which contains an indoline moiety and two cyclopentene rings.
External Descriptors
Not available