Compound Identification
SMILES
COC1=C(OCC#N)C=CC(C=CC(=O)OCC(=O)NCCC2=CC=C(C=C2)S(N)(=O)=O)=C1
InChIKey
InChIKey=JTRCJMWYVOPWNH-UHFFFAOYSA-N
Formula
C22H23N3O7S
Mass
473.5
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
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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 Benzenesulfonamides Benzenesulfonyl compounds Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Fatty acid esters Organosulfonamides Aminosulfonyl compounds Enoate esters Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Organosulfonic acid amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Cyanide - Organosulfur compound - Aromatic homomonocyclic 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