Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(\C=C\C(=O)CC(=O)\C=C\C2=CC(OC)=C(OCC(=O)NCCNC(=S)NC3=CC=C(CC(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)N(CC(O)=O)CC(O)=O)C=C3)C=C2)=C1

InChIKey

InChIKey=AOUYFDOAKVZOHC-YDWXAUTNSA-N

Formula

C47H56N6O17S

Mass

1009.05

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Curcuminoids

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Curcumin - Pentacarboxylic acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid or derivatives - N-phenylthiourea - Methoxyphenol - Alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Styrene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1,3-diketone - Aralkylamine - Phenol - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Thiourea - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Organonitrogen compound - 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

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