Compound Identification
SMILES
CC1=CC=CC=C1N1C=CN=C1S(=O)CCCOC1=CC(\C=C\C(O)=O)=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=HXBOGROCTYNXSG-JXMROGBWSA-N
Formula
C22H21N3O6S
Mass
455.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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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
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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 Nitrophenyl ethers Phenylimidazoles Imidazolyl carboxylic acids and derivatives Nitroaromatic compounds Phenol ethers Phenoxy compounds Styrenes Alkyl aryl ethers Toluenes N-substituted imidazoles Heteroaromatic compounds Sulfoxides Azacyclic compounds Carboxylic acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Sulfinyl compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Cinnamic acid - Coumaric acid or derivatives - Nitrophenyl ether - 1-phenylimidazole - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Imidazolyl carboxylic acid derivative - Phenol ether - Styrene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Heteroaromatic compound - C-nitro compound - Sulfoxide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Sulfinyl compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - 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