Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)COC(=O)C=CC2=CC(OC)=C(OC)C(Cl)=C2)SC2=C1CCC2
InChIKey
InChIKey=WMECPGHTLKZJQP-UHFFFAOYSA-N
Formula
C23H24ClNO7S
Mass
493.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Cinnamic acids and derivatives
-
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 Dimethoxybenzenes Anisoles Thiophene carboxylic acids and derivatives N-arylamides Phenoxy compounds Styrenes Fatty acid esters Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Enoate esters Vinylogous amides Secondary carboxylic acid amides Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Dimethoxybenzene - O-dimethoxybenzene - Phenol ether - Styrene - Thiophene carboxylic acid or derivatives - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Chlorobenzene - Halobenzene - Fatty acid ester - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Aryl chloride - Aryl halide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiophene - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen 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