Compound Identification
SMILES
COC1=C(OC)C(=CC(C=CC(=O)OCC(=O)NC2=CC=C(NC(C)=O)C=C2)=C1)S(=O)(=O)N1CCC2=CC=CC=C12
InChIKey
InChIKey=QMRQTGHCJRDBGC-UHFFFAOYSA-N
Formula
C29H29N3O8S
Mass
579.62
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
- Level 5 Coumaric acids and derivatives
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Subclass
Hydroxycinnamic acids and derivatives
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Class
Cinnamic acids and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Cinnamic acids and derivatives
Subclass
Hydroxycinnamic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Coumaric acids and derivatives
Alternative Parents
Cinnamic acid esters Acetanilides Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds N-acetylarylamines Indoles and derivatives Styrenes Anisoles Phenoxy compounds Alkyl aryl ethers Fatty acid esters Organosulfonamides Acetamides Enoate esters Sulfonyls Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid ester - Coumaric acid or derivatives - Acetanilide - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonamide - Indole or derivatives - Anilide - N-acetylarylamine - Benzenesulfonyl group - N-arylamide - Styrene - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Benzenoid - Organosulfonic acid amide - Monocyclic benzene moiety - Acetamide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic nitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
External Descriptors
Not available