Compound Identification
SMILES
CC(C)C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)C(C)=C[C@@H]2\C=C(C)/CC[C@@H]1OC(C)(C)O[C@H]1CCC3=O
InChIKey
InChIKey=LSWAGZSQKSSVQE-IKABYMROSA-N
Formula
C27H41NO4
Mass
443.628
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Cytochalasans
- Subclass Aspochalasins
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Class
Cytochalasans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cytochalasans
Subclass
Aspochalasins
Intermediate Tree Nodes
Not available
Direct Parent
Aspochalasins
Alternative Parents
Isoindolones Ketals Pyrrolidine-2-ones 1,3-dioxolanes Secondary carboxylic acid amides Lactams Ketones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Aspochalasin skeleton - Isoindolone - Isoindoline - Isoindole or derivatives - Ketal - 2-pyrrolidone - Pyrrolidone - Meta-dioxolane - Pyrrolidine - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aldehyde - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aspochalasins. These are cytochalasans with a structure in which the hydrogenated isoindole bears a 2-methylpropyl group.
External Descriptors
Not available