Compound Identification
SMILES
CC1=CC(N2COC3=C(Cl)C=C4C(OC(=O)C=C4C4=CC=CC=C4)=C3C2)=C(C)C=C1
InChIKey
InChIKey=IIOQRXJDDVHVHT-UHFFFAOYSA-N
Formula
C25H20ClNO3
Mass
417.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Coumarins and derivatives 1-benzopyrans Benzoxazines p-Xylenes Aniline and substituted anilines Dialkylarylamines Pyranones and derivatives Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - Benzopyran - Benzoxazine - 1-benzopyran - P-xylene - Xylene - Dialkylarylamine - Aniline or substituted anilines - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available