Compound Identification
SMILES
O=C1N2CC3CC(CN(CC4=CC=CS4)C3)C2=CC=C1C1=CC=CC=C1CN1CCOCC1
InChIKey
InChIKey=KZBINLZMJDLONG-UHFFFAOYSA-N
Formula
C27H31N3O2S
Mass
461.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
-
Class
Lupin alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Lupin alkaloids
Subclass
Cytisine and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Cytisine and derivatives
Alternative Parents
Phenylpyridines Benzylamines Phenylmethylamines Aralkylamines Pyridinones Piperidines Morpholines Thiophenes Heteroaromatic compounds Lactams Trialkylamines Azacyclic compounds Dialkyl ethers Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - 3-phenylpyridine - Benzylamine - Phenylmethylamine - Pyridinone - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Lactam - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cytisine and derivatives. These are lupin alkaloids with a structure based on the cytisine skeleton, which is a tetracyclic ketone containing fused pyridine and piperidine rings that form pyrido[1,2a][1,5]diazocin-8-one.
External Descriptors
Not available