Compound Identification
SMILES
COC1=C(C=CC2=C1OCO2)C1=CC2=CC3=C(OC(C)(C)C=C3)C=C2OC1=O
InChIKey
InChIKey=TXZAKQXZHMDDJE-UHFFFAOYSA-N
Formula
C22H18O6
Mass
378.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Linear pyranocoumarins Pyranochromenes 2,2-dimethyl-1-benzopyrans Benzodioxoles Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Linear pyranocoumarin - Pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - Coumarin - Benzopyran - 1-benzopyran - Benzodioxole - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Acetal - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available