Compound Identification
SMILES
O=C1OC2=C(C=CC(OCC3=NC(=NO3)C3=CSC=C3)=C2)C(=C1)C1=CC=CC=C1
InChIKey
InChIKey=CUWSIJUBKKLVIG-UHFFFAOYSA-N
Formula
C22H14N2O4S
Mass
402.42
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 Phenol ethers Pyranones and derivatives Alkyl aryl ethers Benzene and substituted derivatives Thiophenes Heteroaromatic compounds 1,2,4-oxadiazoles Lactones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - Benzopyran - 1-benzopyran - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - 1,2,4-oxadiazole - Oxadiazole - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen 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