Compound Identification
SMILES
[H]C1(C)CC([H])(OC1=O)C1([H])CCC2([H])N1CC([H])(O)CCC21CC([H])(C)C(=O)O1
InChIKey
InChIKey=XGXUPXRXXQAJRW-UHFFFAOYSA-N
Formula
C18H27NO5
Mass
337.416
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Stemona alkaloids
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Subclass
Tuberostemospironine-type alkaloids
- Level 5 Croomine-type alkaloids
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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
Croomine-type alkaloids
Alternative Parents
Pyrroloazepines Azepanes N-alkylpyrrolidines Gamma butyrolactones Dicarboxylic acids and derivatives Oxolanes Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Croomine-type alkaloid - Pyrroloazepine - Azepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Amine - Alcohol - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as croomine-type alkaloids. These are stemona alkaloids with a structure containing a pyrrolo[1,2-a]azepine group, where the azepine moiety forms a spiro system with oxolane-5-one to give spiro[oxolane-2,9'-pyrrolo[1,2-a]azepine]-5-one. Moreover, another 5-oxooxolane moiety attached to the pyrrole ring.
External Descriptors
Not available