Compound Identification
SMILES
C[C@H]1[C@H](O)[C@]2(CCCCN3[C@H]2CCC3=O)OC1=O
InChIKey
InChIKey=FPBTZQXLGBERTH-LKAMGYQZSA-N
Formula
C13H19NO4
Mass
253.298
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Stemona alkaloids
- Subclass Tuberostemospironine-type alkaloids
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Class
Stemona alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Stemona alkaloids
Subclass
Tuberostemospironine-type alkaloids
Intermediate Tree Nodes
Not available
Direct Parent
Tuberostemospironine-type alkaloids
Alternative Parents
Pyrroloazepines Azepanes Gamma butyrolactones N-alkylpyrrolidines Pyrrolidine-2-ones Tertiary carboxylic acid amides Oxolanes Lactams Carboxylic acid esters Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tuberostemospironine backbone - Pyrroloazepine - Azepane - Gamma butyrolactone - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Secondary alcohol - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tuberostemospironine-type alkaloids. These are alkaloids with a structure that is characterized by a 2H-spiro[furan-2,9A[9H]pyrrolo[1,2-a]azepin]-\n5-one nucleus which displays a spiro gamma-lactone at C-9 of the basic ring.
External Descriptors
Not available