Compound Identification
SMILES
CCOC(=O)C1=CC=C(NC(=O)C2=CC(Br)=C3OC(C)(C)C=C(C4=CC=C(C)C=C4)C3=C2)C=C1
InChIKey
InChIKey=AAJDIZQNBOUILW-UHFFFAOYSA-N
Formula
C28H26BrNO4
Mass
520.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavenes
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavenes
Alternative Parents
Aromatic anilides 2,2-dimethyl-1-benzopyrans Benzoic acid esters 3-halobenzoic acids and derivatives Benzoyl derivatives Toluenes Alkyl aryl ethers Aryl bromides Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - Aromatic anilide - 2,2-dimethyl-1-benzopyran - Benzoate ester - Benzopyran - 1-benzopyran - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
External Descriptors
Not available