Compound Identification
SMILES
[Br-].CC1=C[C@]2(CCCC[NH+]3[C@@H](CC[C@@H]23)C(O)=O)OC1=O
InChIKey
InChIKey=HKDZADLGRHHAJQ-UWSFXBGYSA-N
Formula
C14H20BrNO4
Mass
346.221
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 Butenolides Dicarboxylic acids and derivatives N-alkylpyrrolidines Quaternary ammonium salts Enoate esters Trialkylamines Amino acids Lactones Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Organic zwitterions Organic bromide salts Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Tuberostemospironine backbone - Alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Pyrroloazepine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Azepane - 2-furanone - Dicarboxylic acid or derivatives - N-alkylpyrrolidine - Dihydrofuran - Pyrrolidine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Quaternary ammonium salt - Amino acid or derivatives - Amino acid - Carboxylic acid ester - Lactone - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic bromide salt - Organic salt - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - 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