Compound Identification
SMILES
CCOC1=C(O)C(Br)=CC(CC2(CN3CC4CC(C3)C3=CC=CC(=O)N3C4)C(=O)N(C)C(=S)N(C)C2=O)=C1
InChIKey
InChIKey=YOLQANLNDICHCO-UHFFFAOYSA-N
Formula
C27H31BrN4O5S
Mass
603.53
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
Thiobarbituric acid derivatives O-bromophenols Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Bromobenzenes Pyridinones Diazinanes Aryl bromides Piperidines Heteroaromatic compounds Trialkylamines Lactams Amino acids and derivatives Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Thiobarbiturate - Phenoxy compound - 2-bromophenol - Phenol ether - 2-halophenol - Alkyl aryl ether - Phenol - Pyridinone - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - 1,3-diazinane - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Aryl halide - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Tertiary amine - Lactam - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen 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