Compound Identification
SMILES
COC1=CC=C(CNC2=NC(=NN2C(=O)C=CC2=CC=CC=C2OC)C2=CC=C(C)C=C2)C=C1
InChIKey
InChIKey=MDTVGNKTRURXIC-UHFFFAOYSA-N
Formula
C27H26N4O3
Mass
454.53
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
Phenyl-1,2,4-triazoles Styrenes Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Toluenes Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Coumaric acid or derivatives - Phenyl-1,2,4-triazole - Phenyltriazole - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Methoxybenzene - Styrene - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen 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