Compound Identification
SMILES
CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@]45CCCC4[C@@]2(CCC(O)=O)[C@H]1N5C3
InChIKey
InChIKey=PTQAVTXQIMITHM-ZRJMCHSZSA-N
Formula
C22H35NO2
Mass
345.527
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Daphniphylline-type alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Daphniphylline-type alkaloids
Alternative Parents
Sesquiterpenoids Azaspirodecane derivatives Carbocyclic fatty acids Indoles and derivatives Indolizidines Azepanes N-alkylpyrrolidines Piperidines Trialkylamines Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Daphniphylline-type alkaloid - Sesquiterpenoid - Azaspirodecane - Carbocyclic fatty acid - Indole or derivatives - Indolizidine - Azepane - Piperidine - N-alkylpyrrolidine - Fatty acyl - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as daphniphylline-type alkaloids. These are alkaloids (or derivatives thereof) from the genus Daphniphyllum, possessing 22 carbon polycyclic fused ring systems with or without the C8 side chain. The C8 unit consists of 6-oxabicyclo[3.2.1]octane or 2,8-dioxabicyclo[3.2.1]octane.
External Descriptors
Not available