Compound Identification
SMILES
CC1(C)C[C@@]2(C[C@@H](OC3=C2C=CC(O)=C3)C2=CC=CC=C2)N[C@@](Br)(N1)SCC=C
InChIKey
InChIKey=LBLNKOBDGQOXLL-YMPZKCBVSA-N
Formula
C23H27BrN2O2S
Mass
475.45
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Hydroxyflavonoids
- Level 5 7-hydroxyflavonoids
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Subclass
Hydroxyflavonoids
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Hydroxyflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxyflavonoids
Alternative Parents
Flavans 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Diazinanes Benzene and substituted derivatives Allyl sulfur compounds Sulfenyl compounds Secondary amines Oxacyclic compounds Dialkylthioethers Azacyclic compounds Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxyflavonoid - Flavan - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Allyl sulfur compound - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkylthioether - Sulfenyl compound - Secondary amine - Thioether - Amine - Alkyl halide - Alkyl bromide - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton.
External Descriptors
Not available