Compound Identification
SMILES
CC1=CC(C(=O)COC2=CC3=C(C=CC(=O)O3)C=C2)=C(C)N1C1=CC(C)=C(C)C=C1
InChIKey
InChIKey=XYMIBGSJLQLDEY-UHFFFAOYSA-N
Formula
C25H23NO4
Mass
401.462
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrroles
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Subclass
Substituted pyrroles
- Level 5 Phenylpyrroles
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Subclass
Substituted pyrroles
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Class
Pyrroles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrroles
Subclass
Substituted pyrroles
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrroles
Alternative Parents
Coumarins and derivatives 1-benzopyrans o-Xylenes Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Aldehydes Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - 1-phenylpyrrole - Benzopyran - 1-benzopyran - O-xylene - Xylene - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - Ketone - Oxacycle - Ether - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond.
External Descriptors
Not available