Compound Identification
SMILES
COC1=CC(OC)=C2[C@@H]3[C@H](OC2=C1)[C@H](OC1=CC(OC)=CC(OC)=C31)C1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=JSWREQJJPVYIPH-PFBJBMPXSA-N
Formula
C27H28O8
Mass
480.513
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
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Subclass
Flavans
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Level 5
Flavan-3-ols
- Level 6 Catechins
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Level 5
Flavan-3-ols
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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
Furanoflavonoids and dihydrofuranoflavonoids 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids 7-O-methylated flavonoids 1-benzopyrans Dimethoxybenzenes Coumarans Furopyrans Anisoles Phenoxy compounds Alkyl aryl ethers Pyrans Furans Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catechin - Furanoflavonoid or dihydroflavonoid - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Chromane - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Coumaran - Furopyran - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyran - Furan - Ether - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - 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