Compound Identification
SMILES
COc1ccc(C=NNC(=O)C2=C(Cl)c3ccccc3S2)cc1CN1C[C@@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=GAVCTEAUCXGDSL-PMACEKPBSA-N
Formula
C29H27ClN4O3S
Mass
547.07
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 1-benzothiophenes Thiophene carboxamides Phenylmethylamines Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Pyridinones Aralkylamines Alkyl aryl ethers Aryl chlorides Vinylogous halides Heteroaromatic compounds Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Benzylpiperidine - N-benzylpiperidine - 1-benzothiophene - Benzothiophene - Phenoxy compound - Methoxybenzene - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Phenylmethylamine - Phenol ether - Benzylamine - Anisole - Aralkylamine - Pyridinone - Alkyl aryl ether - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous halide - Thiophene - Tertiary aliphatic amine - Tertiary amine - Lactam - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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