Compound Identification
SMILES
O[C@@H]1C2=CC=CC=C2O[C@H](C2=C(F)C=CC=C2F)[C@@]1(Cl)[N+]([O-])=O
InChIKey
InChIKey=CDCAAAPHXJPXCL-KFWWJZLASA-N
Formula
C15H10ClF2NO4
Mass
341.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
- Level 5 Flavan-4-ols
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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
Not available
Direct Parent
Flavan-4-ols
Alternative Parents
4-hydroxyflavonoids 1-benzopyrans Alkyl aryl ethers Fluorobenzenes Aryl fluorides Secondary alcohols C-nitro compounds Chlorohydrins Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Alkyl chlorides Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxyflavonoid - Hydroxyflavonoid - Flavan-4-ol - 1-benzopyran - Chromane - Benzopyran - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Halohydrin - Secondary alcohol - Organic nitro compound - Chlorohydrin - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Alkyl halide - Alkyl chloride - Organic oxygen compound - Organic salt - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position.
External Descriptors
Not available