Compound Identification
SMILES
COC1=C(O)C=CC(C=CC(=O)OC(C(=O)C=CC2=CC(OC)=C(O)C=C2)(C(=O)C=CC2=CC(OC)=C(O)C=C2)C2(OC3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C2O)=C1
InChIKey
InChIKey=XTAIUHCIHUOSBW-UHFFFAOYSA-N
Formula
C42H46O20
Mass
870.81
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
C-cinnamoyl glycosides Fatty acyl glycosides of mono- and disaccharides Alkyl glycosides Coumaric acids and derivatives Disaccharides C-glycosyl compounds O-glycosyl compounds Methoxyphenols Styrenes Methoxybenzenes Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids Ketals Alkyl aryl ethers Fatty acid esters Alpha-acyloxy ketones Oxanes Acryloyl compounds Oxolanes Enones Enoate esters Secondary alcohols Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Polyols Hydrocarbon derivatives Aldehydes Organic oxides Primary alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Curcumin - C-cinnamoyl glycoside - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - Alkyl glycoside - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - C-glycosyl compound - Disaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Methoxybenzene - Styrene - Anisole - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Fatty acid ester - Phenol - Alpha-acyloxy ketone - Alkyl aryl ether - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Acryloyl-group - Enone - Oxolane - Alpha,beta-unsaturated ketone - Carboxylic acid ester - Secondary alcohol - Ketone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Acetal - Monocarboxylic acid or derivatives - Oxacycle - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - Aldehyde - Organooxygen compound - Aromatic heteromonocyclic 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