Compound Identification
SMILES
COC1=CC(C=CC(=O)C=C(O)C=CC2=CC=C(OS(O)(=O)=O)C(OC)=C2)=CC=C1O
InChIKey
InChIKey=BAAPEFDXIWELFF-UHFFFAOYSA-N
Formula
C21H20O9S
Mass
448.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
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Subclass
Linear diarylheptanoids
- Level 5 Curcuminoids
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Subclass
Linear diarylheptanoids
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Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Curcuminoids
Alternative Parents
Hydroxycinnamic acids and derivatives Phenylsulfates Methoxyphenols Styrenes Phenoxy compounds Methoxybenzenes Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Sulfuric acid monoesters Vinylogous acids Acryloyl compounds Enones Ketones Enols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Curcumin - Hydroxycinnamic acid or derivatives - Phenylsulfate - Methoxyphenol - Arylsulfate - Methoxybenzene - Styrene - Phenoxy compound - Phenol ether - Anisole - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Acryloyl-group - Vinylogous acid - Enone - Alpha,beta-unsaturated ketone - Organic sulfuric acid or derivatives - Ketone - Enol - Ether - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as curcuminoids. These are aromatic compounds containing a curcumin moiety, which is composed of two aryl buten-2-one (feruloyl) chromophores joined by a methylene group.
External Descriptors
Not available