Compound Identification
SMILES
COC1CCCN2[C@@H](CCC2[C@@]11C[C@@H](C)C(=O)O1)C1C[C@H](C)C(=O)O1
InChIKey
InChIKey=TZPKEJFBTXRNTK-CWOJECCLSA-N
Formula
C19H29NO5
Mass
351.443
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Stemona alkaloids
-
Subclass
Tuberostemospironine-type alkaloids
- Level 5 Croomine-type alkaloids
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Subclass
Tuberostemospironine-type alkaloids
-
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 Carboxylic acid esters Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Croomine-type alkaloid - Pyrroloazepine - Azepane - Dicarboxylic acid or derivatives - Gamma butyrolactone - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - 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