Compound Identification
SMILES
Cl.COC1=C(OC)C=C(C=C1)C(=O)CN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=JQCFQYFYTQNRSQ-XMZRARIVSA-N
Formula
C21H25ClN2O4
Mass
404.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
-
Class
Lupin alkaloids
- Subclass Cytisine and derivatives
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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
Alkyl-phenylketones Dimethoxybenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Pyridinones Aralkylamines Piperidines Alpha-amino ketones Heteroaromatic compounds Lactams Trialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Alkyl-phenylketone - Dimethoxybenzene - O-dimethoxybenzene - Phenylketone - Benzoyl - Methoxybenzene - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Aryl ketone - Anisole - Pyridinone - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Alpha-aminoketone - Ketone - Lactam - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Organooxygen compound - Amine - Organic oxide - 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