Compound Identification
SMILES
COC1=CC=CC(C=CC(=O)OC2=C(Cl)C=C(Cl)C3=C2N=C(C)C=C3)=C1
InChIKey
InChIKey=VAESGHNRHQNQQU-UHFFFAOYSA-N
Formula
C20H15Cl2NO3
Mass
388.24
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 Chloroquinolines Phenol esters Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Methylpyridines Fatty acid esters Aryl chlorides Heteroaromatic compounds Enoate esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid ester - Chloroquinoline - Haloquinoline - Phenol ester - Quinoline - Anisole - Phenol ether - Methoxybenzene - Styrene - Phenoxy compound - Methylpyridine - Fatty acid ester - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Fatty acyl - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organochloride - Organonitrogen 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