Compound Identification
SMILES
COC1=C2C=C(C(=O)OC2=CC2=C1C(=O)C=C(C)O2)C1=CC=C(F)C=C1
InChIKey
InChIKey=CUADJKHAEPYEST-UHFFFAOYSA-N
Formula
C20H13FO5
Mass
352.317
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 Chromones Anisoles Pyranones and derivatives Fluorobenzenes Alkyl aryl ethers Aryl fluorides Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Linear pyranocoumarin - Pyranocoumarin - Pyranochromene - Chromone - Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyranone - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Vinylogous ester - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Ether - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Organic oxide - 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