Compound Identification
SMILES
C[C@H]1C2[C@H](CC3=CC=CC=C3)NC(=O)C22OC(=O)O\C=C\[C@@](C)(O)C(O)[C@@H](C)C\C=C\[C@H]2[C@H]2O[C@]12C
InChIKey
InChIKey=QFMHCTDKESOYBF-FCJXAAIOSA-N
Formula
C28H35NO7
Mass
497.588
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Cytochalasans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cytochalasans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cytochalasans
Alternative Parents
Macrolactams Isoindolones Oxepanes Benzene and substituted derivatives Carbonic acid diesters Pyrrolidine-2-ones Tertiary alcohols Enol esters 1,2-diols Secondary carboxylic acid amides Secondary alcohols Lactams Epoxides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytoglobosin skeleton - Cytochalasan - Macrolactam - Isoindolone - Isoindoline - Isoindole or derivatives - Oxepane - Monocyclic benzene moiety - Carbonic acid diester - Benzenoid - 2-pyrrolidone - Pyrrolidone - Enol ester - Tertiary alcohol - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Lactam - 1,2-diol - Carbonic acid derivative - Organoheterocyclic compound - Ether - Oxirane - Azacycle - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cytochalasans. These are fungal metabolites structurally characterized by the presence of an isoindolone nucleus fused to a macrocyclic ring, which can either a lactone, as in cytochalasin B, a carbonate, as in cytochalasin E, or a carbocycle, as in cytochalasin D, H, and K.
External Descriptors
Not available