Compound Identification
SMILES
[Gd+3].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=FLNBGDWOUSUXCN-JPAPVDFESA-N
Formula
C47H56GdN6O17S
Mass
1166.3
Taxonomic Classification
Taxonomy Tree
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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
Pentacarboxylic acids and derivatives Hydroxycinnamic acids and derivatives Alpha amino acids Amphetamines and derivatives Methoxyphenols N-phenylthioureas Anisoles Styrenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Beta-diketones Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Acryloyl compounds Enones Ketones Thioureas Amino acids Secondary carboxylic acid amides Trialkylamines Carboxylic acids Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Curcumin - Pentacarboxylic acid or derivatives - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Alpha-amino acid - N-phenylthiourea - Alpha-amino acid or derivatives - Amphetamine or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1,3-diketone - Phenol - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Tertiary aliphatic amine - Amino acid - Tertiary amine - Ketone - Thiourea - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxide - Organic cation - 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