Compound Identification
SMILES
CC1=CC(SCC(=O)NN=C2CC(OC3=CC=CC=C23)C2=CC=CC=C2)=C(C)C=C1Br
InChIKey
InChIKey=FAYLRPLVHQHGHI-UHFFFAOYSA-N
Formula
C25H23BrN2O2S
Mass
495.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavans
Alternative Parents
1-benzopyrans p-Xylenes Thiophenol ethers Alkyl aryl ethers Alkylarylthioethers Bromobenzenes Aryl bromides Sulfenyl compounds Oxacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavan - Benzopyran - 1-benzopyran - Chromane - Aryl thioether - Thiophenol ether - Xylene - P-xylene - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available