Compound Identification
SMILES
CCOC1=C(CN2CC3CC(C2)C2=CC=CC(=O)N2C3)C=C(C=NNC(=O)COC2=CC(C)=C(Cl)C=C2)C=C1
InChIKey
InChIKey=FUVRTAZIJGNVRH-UHFFFAOYSA-N
Formula
C30H33ClN4O4
Mass
549.07
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
N-benzylpiperidines Benzylamines Phenol ethers Phenoxy compounds Phenylmethylamines Chlorobenzenes Alkyl aryl ethers Aralkylamines Pyridinones Toluenes Aryl chlorides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Lactams Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - N-benzylpiperidine - Benzylpiperidine - Phenol ether - Phenoxy compound - Phenylmethylamine - Benzylamine - Alkyl aryl ether - Pyridinone - Chlorobenzene - Toluene - Halobenzene - Aralkylamine - Pyridine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Piperidine - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen 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