Compound Identification
SMILES
COC1=C(OC)C(=CC(C=CC(=O)OCC(C)=O)=C1)S(=O)(=O)N1CCC2=CC=CC=C12
InChIKey
InChIKey=DYTPNNKXBCIADJ-UHFFFAOYSA-N
Formula
C22H23NO7S
Mass
445.49
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 Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Indoles and derivatives Anisoles Phenoxy compounds Styrenes Alpha-acyloxy ketones Fatty acid esters Alkyl aryl ethers Organosulfonamides Sulfonyls Enoate esters Ketones Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Benzenesulfonamide - O-dimethoxybenzene - Dimethoxybenzene - Benzenesulfonyl group - Indole or derivatives - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Fatty acid ester - Alpha-acyloxy ketone - Benzenoid - Organosulfonic acid amide - Fatty acyl - Monocyclic benzene moiety - Enoate ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Ketone - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organooxygen 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