Compound Identification
SMILES
OC1=CC(O)=C2CC(OP(=O)(OC3CC4=C(O)C=C(O)C=C4OC3C3=CC(O)=C(O)C=C3)OC3CC4=C(O)C=C(O)C=C4OC3C3=CC(O)=C(O)C=C3)C(OC2=C1)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=QPSSZQWWISQYIF-UHFFFAOYSA-N
Formula
C45H39O19P
Mass
914.762
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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
Flavonoid 3-phosphates 7-hydroxyflavonoids 5-hydroxyflavonoids 4'-hydroxyflavonoids 3'-hydroxyflavonoids 1-benzopyrans Trialkyl phosphates Catechols Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flavonoid 3-phosphate - Catechin - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Benzopyran - 1-benzopyran - Chromane - Trialkyl phosphate - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Organic phosphoric acid derivative - Monocyclic benzene moiety - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Oxacycle - Organoheterocyclic compound - Ether - Organic oxide - Organic oxygen compound - Organooxygen 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