Compound Identification
SMILES
ClC1=C(NC(=O)COC(=O)C(=CC2=CC3=C(OCO3)C=C2)C#N)C=C(C=C1)S(=O)(=O)N1CCCCCC1
InChIKey
InChIKey=XXQRNOYMBPQYJT-UHFFFAOYSA-N
Formula
C25H24ClN3O7S
Mass
545.99
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
-
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 Benzenesulfonamides Anilides Benzenesulfonyl compounds Benzodioxoles N-arylamides Azepanes Chlorobenzenes Fatty acid esters Aryl chlorides Organosulfonamides Enoate esters Sulfonyls Secondary carboxylic acid amides Monocarboxylic acids and derivatives Oxacyclic compounds Acetals Azacyclic compounds Nitriles Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzenesulfonamide - Benzenesulfonyl group - Benzodioxole - Anilide - N-arylamide - Halobenzene - Fatty acid ester - Azepane - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Fatty acyl - Sulfonyl - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - 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