Structure Information
Structure

Compound Identification

SMILES

COC1=CC(\C=C(\SC2=NC3=CC=CC=C3S2)C([O-])=O)=CC(OC)=C1OC

InChIKey

InChIKey=GNIGVAHOHAHLPO-MHWRWJLKSA-M

Formula

C19H16NO5S2

Mass

402.46

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid - Coumaric acid or derivatives - 1,3-benzothiazole - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxylic acid salt - Thioenolether - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic anion - 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

Previous Back Next