Compound Identification
SMILES
O=C(CC[NH+]1CCOCC1)NC1=C(C=CC(=C1)C(=O)NCC1=CC=CS1)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChIKey
InChIKey=CVGHNFSKTZRAOZ-UHFFFAOYSA-O
Formula
C30H36N5O4S
Mass
562.71
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
Acylaminobenzoic acid and derivatives Phenylpiperidines Beta amino acids and derivatives Aminobenzamides 2'-Aminoanilides Benzamides Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines N-arylamides Aralkylamines Pyridinones Morpholines Thiophenes Heteroaromatic compounds Quaternary ammonium salts Lactams Trialkylamines Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cytisine - Acylaminobenzoic acid or derivatives - Phenylpiperidine - Beta amino acid or derivatives - Aminobenzamide - Aminobenzoic acid or derivatives - 2'-aminoanilide - Benzamide - Benzoic acid or derivatives - Anilide - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - N-arylamide - Aralkylamine - Pyridinone - Benzenoid - Pyridine - Piperidine - Monocyclic benzene moiety - Oxazinane - Morpholine - Thiophene - Quaternary ammonium salt - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - 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