Compound Identification
SMILES
COC1=CC(NC(=O)O[C@H]2[C@@H](OC3=C(C=C(Br)C=C3)C2=O)C2=CC3=C(OCO3)C=C2)=CC(OC)=C1OC
InChIKey
InChIKey=QSQFKZXXXKMANN-UKILVPOCSA-N
Formula
C26H22BrNO9
Mass
572.364
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
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Level 5
Flavanones
- Level 6 Flavanonols
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Level 5
Flavanones
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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
Flavanones
Direct Parent
Flavanonols
Alternative Parents
Phenylcarbamic acid esters Chromones Methoxyanilines Benzodioxoles Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Alkyl aryl ethers Aryl bromides Carbamate esters Oxacyclic compounds Acetals Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavanonol - Phenylcarbamic acid ester - Chromone - Chromane - Benzopyran - 1-benzopyran - Benzodioxole - Methoxyaniline - Methoxybenzene - Anisole - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Acetal - Organobromide - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavanonols. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.
External Descriptors
Not available