Compound Identification
SMILES
CC1=C[C@]2(CCCCN3[C@@H](CC[C@@H]23)C(O)=O)OC1=O
InChIKey
InChIKey=BKQVZCIWNHCYJI-MJVIPROJSA-N
Formula
C14H19NO4
Mass
265.309
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 L-alpha-amino acids Pyrrolidine carboxylic acids Azepanes N-alkylpyrrolidines Dicarboxylic acids and derivatives Butenolides Enoate esters Trialkylamines Amino acids Lactones Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tuberostemospironine backbone - Pyrroloazepine - Alpha-amino acid - L-alpha-amino acid - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Azepane - 2-furanone - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Dihydrofuran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Pyrrolidine - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactone - Amino acid - Amino acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Carboxylic acid - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organooxygen compound - Organonitrogen compound - 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