Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)N1COC2=C(Cl)C=C3C(OC(=O)C=C3C3=CC=CC=C3)=C2C1
InChIKey
InChIKey=BQMBULFBHJASBX-UHFFFAOYSA-N
Formula
C25H20ClNO5
Mass
449.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
-
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 Dimethoxybenzenes Benzoxazines Methoxyanilines Phenoxy compounds Anisoles Dialkylarylamines Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - Benzopyran - Benzoxazine - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Methoxyaniline - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Anisole - Phenol ether - Phenoxy compound - Pyranone - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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