Compound Identification
SMILES
OC1=C(OCC2=CC=CC=C2)C(C(=O)C(F)(F)F)=C2O[C@@H]([C@H](CC2=C1OCC1=CC=CC=C1)OCC1=CC=CC=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=XXRLAIGUFLZEPV-BTOMMIQVSA-N
Formula
C52H43F3O8
Mass
852.903
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
- Level 6 Catechins
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Level 5
Flavan-3-ols
-
Subclass
Flavans
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Flavan-3-ols
Direct Parent
Catechins
Alternative Parents
6-hydroxyflavonoids 1-benzopyrans Benzylethers Phenoxy compounds Phenol ethers Aryl alkyl ketones Phenols Alkyl aryl ethers Alpha-haloketones Oxacyclic compounds Dialkyl ethers Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - 6-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Benzylether - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Alkyl halide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl fluoride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.
External Descriptors
Not available