Compound Identification
SMILES
NN[C@H]1[C@@H]2CN3CC[C@@H](O2)[C@@H]13
InChIKey
InChIKey=IGBYSORYJJNIBK-BWBBJGPYSA-N
Formula
C7H13N3O
Mass
155.201
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Loline alkaloids and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Loline alkaloids and derivatives
Alternative Parents
Pyrrolizidines 1,4-oxazepines N-alkylpyrrolidines Morpholines Oxolanes Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Alkylhydrazines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Loline - Pyrrolizidine - Para-oxazepine - Morpholine - Oxazinane - N-alkylpyrrolidine - Oxolane - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Alkylhydrazine - Ether - Dialkyl ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrazine derivative - Amine - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as loline alkaloids and derivatives. These are alkaloids with a structure characterized by a saturated pyrrolizidine ring, a primary amine at the C-1 carbon, and an internal ether bridge joining two distant ring (C-2 and C-7) carbons. Different substituents at the C-1 amine, such as methyl, formyl, and acetyl groups, yield various loline species.
External Descriptors
Not available