Compound Identification
SMILES
[H]\C(C(C)C)=C(\[H])C1=C(O)C2=C(O[C@]([H])(C3=C(O)C=C(O)C=C3)[C@]([H])(O)C2=O)C=C1C
InChIKey
InChIKey=QKFCFTIQHYXZRG-BMAGUTBCSA-N
Formula
C21H22O6
Mass
370.401
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
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavanones
Direct Parent
Flavanonols
Alternative Parents
5-hydroxyflavonoids 4'-hydroxyflavonoids 3-hydroxyflavonoids Chromones Styrenes Resorcinols Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavanonol - Hydroxyflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Resorcinol - Styrene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Secondary alcohol - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen 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