Compound Identification
SMILES
OC1CC(OC2=C1C=C(O)C=C2)C1=CC=CC=C1C(F)(F)F
InChIKey
InChIKey=OLMCDQBNFRJGLI-UHFFFAOYSA-N
Formula
C16H13F3O3
Mass
310.272
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
6-hydroxyflavonoids 4-hydroxyflavonoids Trifluoromethylbenzenes 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Oxacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxyflavonoid - 6-hydroxyflavonoid - Flavan-4-ol - Hydroxyflavonoid - Trifluoromethylbenzene - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alcohol - Organohalogen compound - Organofluoride - 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