Compound Identification
SMILES
CC(C)C1=CC=C(C=C1)[C@H]1N(C2=NC(C)=C(S2)C(C)=O)C(=O)C(O)=C1C(=O)C1=CC2=CC=CC=C2O1
InChIKey
InChIKey=ADIBHJVBAUYSKS-HSZRJFAPSA-N
Formula
C28H24N2O5S
Mass
500.57
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolines
- Subclass Phenylpyrrolines
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Class
Pyrrolines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolines
Subclass
Phenylpyrrolines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolines
Alternative Parents
Aromatic monoterpenoids Bicyclic monoterpenoids Benzofurans Cumenes Phenylpropanes 2,4,5-trisubstituted thiazoles Aryl alkyl ketones Pyrroline carboxylic acids and derivatives Heteroaromatic compounds Furans Vinylogous acids Tertiary carboxylic acid amides Pyrroles Lactams Oxacyclic compounds Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrroline - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Cumene - Benzofuran - Phenylpropane - 2,4,5-trisubstituted 1,3-thiazole - Aryl alkyl ketone - Aryl ketone - Pyrroline carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Pyrrole - Azole - Vinylogous acid - Furan - Heteroaromatic compound - Thiazole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Ketone - Carboxylic acid derivative - Azacycle - Oxacycle - Enol - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrroline ring through a CC or CN bond.
External Descriptors
Not available