Compound Identification
SMILES
CCC(=O)OC1C(OC)=CC(=O)[C@]11[C@@H](Cl)CC23N(C)CCC12CC(=O)C(OC)=C3OC
InChIKey
InChIKey=AEYLSMJJUCIJNV-NJIWGSAGSA-N
Formula
C22H28ClNO7
Mass
453.92
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 Cyclohexenones N-alkylpyrrolidines Vinylogous esters Trialkylamines Carboxylic acid esters Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Acutumine skeketon - Indole or derivatives - Cyclohexenone - N-alkylpyrrolidine - Pyrrolidine - Vinylogous ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl halide - 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