Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C1=CC=C(OS(=O)(=O)C(F)(F)F)C=C1)=C(C(=O)O2)C1=CC=CC=C1
InChIKey
InChIKey=IRNBHVCHOYPRPE-UHFFFAOYSA-N
Formula
C23H15F3O6S
Mass
476.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
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Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Isoflav-3-enones Coumarins and derivatives 1-benzopyrans Trifluoromethanesulfonates Phenoxy compounds Anisoles Alkyl aryl ethers Pyranones and derivatives Sulfonic acid esters Organosulfonic acid esters Sulfonyls Heteroaromatic compounds Methanesulfonates Trihalomethanes Lactones Oxacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - 4-phenylcoumarin - Isoflavonoid skeleton - Isoflavonoid - Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Trifluoromethanesulfonate - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Sulfonic acid ester - Organosulfonic acid ester - Sulfonyl - Heteroaromatic compound - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactone - Trihalomethane - Oxacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organic oxide - Alkyl halide - Halomethane - Organic oxygen compound - Alkyl fluoride - Organohalogen compound - Organofluoride - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available