Compound Identification
SMILES
OCCO[C@@H]1[C@@H](O)[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=UFUPNHFDBRIMKL-BKXXXTAHSA-N
Formula
C45H42O8
Mass
710.823
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
-
Subclass
Flavans
-
Level 5
Flavan-3-ols
- Level 6 Catechins
-
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 3-hydroxyflavonoids 1-benzopyrans Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Dialkyl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Leucoanthocyanidin-skeleton - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Primary alcohol - 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