Compound Identification
SMILES
COC1=C(OC)C(Br)=CC(=C1)C1=C(C#N)C(=O)OC2=C1C=CC(Cl)=C2
InChIKey
InChIKey=LVGHRVBTOCQOFU-UHFFFAOYSA-N
Formula
C18H11BrClNO4
Mass
420.64
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 Dimethoxybenzenes Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Alkyl aryl ether - Bromobenzene - Halobenzene - Pyranone - Pyran - Benzenoid - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Nitrile - Carbonitrile - Ether - Oxacycle - Organoheterocyclic compound - Organobromide - Organic oxide - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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