Compound Identification
SMILES
O=C(OCC1=CC=CC=C1)C1=CC=CC=C1C1=C2C=CC(C=C2OC2=C1C=CC(=C2)C(\C#N)=C1\NC2=CC=CC=C2S1)C(\C#N)=C1\NC2=CC=CC=C2S1
InChIKey
InChIKey=KDJSAVVMXWJILG-YRYNROFESA-N
Formula
C45H28N4O3S2
Mass
736.86
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Prenylated neoflavonoids
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Prenylated neoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
Prenylated neoflavonoids
Alternative Parents
Neoflavenes Xanthenes Benzyloxycarbonyls Benzoic acid esters Benzothiazoles Aryl thioethers Benzoyl derivatives Thiazoles Ketene acetals Carboxylic acid esters Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Prenylated neoflavonoid - Neoflavene - Dibenzopyran - Xanthene - Benzyloxycarbonyl - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzo-thiazole - 1,2-benzothiazole - 1,3-benzothiazole - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Benzenoid - Thiazole - Ketene acetal or derivatives - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Nitrile - Carbonitrile - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as prenylated neoflavonoids. These are neoflavonoids that features a C5-isoprenoid substituent at any position of the A, B, or C ring. Neoflavonoids are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors
Not available