Compound Identification
SMILES
[I-].CC[N+]1(C)CCC(O)(\C=C\C2=CC=C(OC)C=C2)C(C1)C(=O)\C=C\C1=CC=C(OC)C=C1
InChIKey
InChIKey=NTTXETGDWMNLQL-NUJWFWAESA-M
Formula
C27H34INO4
Mass
563.476
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
Cinnamic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers b'-hydroxy-alpha,beta-unsaturated ketones Beta-amino ketones Piperidines Enones Acryloyl compounds Tertiary alcohols Tetraalkylammonium salts Azacyclic compounds Amines Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bis-desmethoxycurcumin - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - B'-hydroxy-alpha,beta-unsaturated-ketone - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - Acryloyl-group - Tetraalkylammonium salt - Enone - Quaternary ammonium salt - Tertiary alcohol - Alpha,beta-unsaturated ketone - Ketone - Organoheterocyclic compound - Azacycle - Ether - Organic zwitterion - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Alcohol - Organic oxide - Organic iodide salt - Amine - Organic salt - Organic oxygen 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