Compound Identification
SMILES
COC1=CC(=O)C2([C@@H](Cl)C[C@]34NCC[C@]23CC(=O)C(OC)=C4OC)[C@H]1O
InChIKey
InChIKey=SBALNGLYQFMKPR-WDAJTWOHSA-N
Formula
C18H22ClNO6
Mass
383.83
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
Indolines Cyclohexenones Vinylogous esters Pyrrolidines Secondary alcohols Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Acutumine skeketon - Indole or derivatives - Dihydroindole - Cyclohexenone - Vinylogous ester - Pyrrolidine - Cyclic ketone - Secondary alcohol - Ketone - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Alkyl halide - Alkyl chloride - Alcohol - 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