Compound Identification
SMILES
COC(=O)C1=CC=C(COC2=CC=CC=C2\C=C(/C#N)C(=O)NC2=CC3=C(OCCO3)C=C2[N+]([O-])=O)C=C1
InChIKey
InChIKey=KPVKNBCDIVXLII-UDWIEESQSA-N
Formula
C27H21N3O8
Mass
515.478
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 amides Benzo-1,4-dioxanes Benzoic acid esters Benzoyl derivatives Phenoxy compounds N-arylamides Nitroaromatic compounds Phenol ethers Alkyl aryl ethers Para dioxins Methyl esters Secondary carboxylic acid amides Organic oxoazanium compounds Nitriles Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organopnictogen compounds Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cinnamic acid amide - Coumaric acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Nitroaromatic compound - Benzoyl - Phenol ether - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Methyl ester - Carboxamide group - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Oxacycle - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Cyanide - Organooxygen compound - Organic salt - 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