Compound Identification
SMILES
COC1=CC=CC([C@H]2N(CC[NH+]3CCOCC3)C(=O)C(O)=C2C(=O)C2=CC=CS2)=C1OC
InChIKey
InChIKey=RQKZPANBRYNUEY-LJQANCHMSA-O
Formula
C23H27N2O6S
Mass
459.54
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
Dimethoxybenzenes Anisoles Aryl ketones Pyrroline carboxylic acids and derivatives Phenoxy compounds Alkyl aryl ethers Morpholines Vinylogous acids Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Quaternary ammonium salts Pyrroles Amino acids and derivatives Trialkylamines Lactams Enols Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-phenylpyrroline - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Pyrroline carboxylic acid or derivatives - Aryl ketone - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Morpholine - Monocyclic benzene moiety - Oxazinane - Benzenoid - Heteroaromatic compound - Vinylogous acid - Pyrrole - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiophene - Ketone - Tertiary amine - Lactam - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Enol - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic 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