Compound Identification
SMILES
COC1=C(OCC2=CC=C(Br)C=C2)C=CC(C=C(SC2=NNC(C)=N2)C(O)=O)=C1
InChIKey
InChIKey=HQYYWZPQHHJHMG-UHFFFAOYSA-N
Formula
C20H18BrN3O4S
Mass
476.35
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
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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 acids Phenoxy compounds Anisoles Aryl thioethers Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Triazoles Heteroaromatic compounds Thioenol ethers Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - 1,2,4-triazole - Heteroaromatic compound - Azole - Thioenolether - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Sulfenyl compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic 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