Compound Identification
SMILES
COC1=C(OC)C(OC)=C2C(OC(=O)C=C2C2=CC=C(C=C2)C2=CC=C(C=C2)C#N)=C1
InChIKey
InChIKey=NOHPWRBMWRDRIQ-UHFFFAOYSA-N
Formula
C25H19NO5
Mass
413.429
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
Biphenylcarbonitriles Coumarins and derivatives 1-benzopyrans Benzonitriles Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Biphenylcarbonitrile - Biphenyl - Coumarin - Benzopyran - 1-benzopyran - Anisole - Benzonitrile - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Carbonitrile - Nitrile - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Cyanide - 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