Compound Identification
SMILES
OC1[C@@H](OCC2=CC=CC=C2)[C@H](OC2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C12)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=FILSGIZVGHJADS-AWRYFVMKSA-N
Formula
C50H44O7
Mass
756.895
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Leucoanthocyanidins 4-hydroxyflavonoids 1-benzopyrans Benzylethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Leucoanthocyanidin-skeleton - 4-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Benzylether - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - 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