Compound Identification
SMILES
COC1=C(OCC2=CC(F)=CC=C2)C=CC(=C1)C1C2=CC3=C(OCO3)C=C2OC(N)=C1C#N
InChIKey
InChIKey=IVEIMSNTHGBTPX-UHFFFAOYSA-N
Formula
C25H19FN2O5
Mass
446.434
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavonoids
Alternative Parents
1-benzopyrans Benzodioxoles Phenoxy compounds Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Ketene acetals Oxacyclic compounds Nitriles Acetals Organopnictogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavonoid skeleton - Benzopyran - 1-benzopyran - Benzodioxole - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Ketene acetal or derivatives - Nitrile - Carbonitrile - Ether - Acetal - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Cyanide - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available