Compound Identification
SMILES
CC1(C)C[C@@]2(C[C@@H](OC3=C2C=CC(O)=C3)C2=CC=CC=C2)[NH2+][C@@](Br)([NH2+]1)SCC=C
InChIKey
InChIKey=LBLNKOBDGQOXLL-YMPZKCBVSA-P
Formula
C23H29BrN2O2S
Mass
477.46
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Hydroxyflavonoids
- Level 5 7-hydroxyflavonoids
-
Subclass
Hydroxyflavonoids
-
Class
Flavonoids
-
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 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Diazinanes Quaternary ammonium salts Allyl sulfur compounds Dialkylthioethers Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Alkyl bromides Organobromides Hydrocarbon derivatives Organic cations
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 - Quaternary ammonium salt - Allyl sulfur compound - Organoheterocyclic compound - Sulfenyl compound - Thioether - Azacycle - Dialkylthioether - Ether - Oxacycle - Organosulfur compound - Alkyl bromide - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Alkyl halide - Organic cation - 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