Compound Identification
SMILES
C[C@@H]1NC(=O)[C@]23[C@H]1[C@H](C)[C@@]1(C)O[C@H]1[C@@H]2\C=C\C[C@H](C)[C@H]1O[C@@]1(C)[C@@H](CC3=O)N1C=NC2=C1N=CN=C2N
InChIKey
InChIKey=AYRYPPLNJZYZDV-GUJQKGPQSA-N
Formula
C27H34N6O4
Mass
506.607
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Cytochalasans
- Subclass Alachalasins
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Class
Cytochalasans
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Cytochalasans
Subclass
Alachalasins
Intermediate Tree Nodes
Not available
Direct Parent
Alachalasins
Alternative Parents
6-aminopurines Isoindolones Oxepanes Aminopyrimidines and derivatives Pyrrolidine-2-ones N-substituted imidazoles Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Lactams Ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Epoxides Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Carbocyclic alachalasin skeleton - 6-aminopurine - Isoindolone - Isoindole or derivatives - Isoindoline - Purine - Imidazopyrimidine - Aminopyrimidine - Oxepane - N-substituted imidazole - Pyrimidine - Pyrrolidone - 2-pyrrolidone - Imidolactam - Imidazole - Heteroaromatic compound - Pyrrolidine - Azole - Lactam - Carboxamide group - Ketone - Amino acid or derivatives - Secondary carboxylic acid amide - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as alachalasins. These are cytochalasans with a structure in which the hydrogenated isoindole bears a methyl group.
External Descriptors
Not available