Compound Identification
SMILES
CCCNC1=C(O)C=C(\C=C(/C)C(=O)N[C@H]2[C@@H](O)[C@@H]3OCO[C@@H]3[C@H](O)[C@H]2O)C=C1
InChIKey
InChIKey=MIDDJVVTCMTMLO-ZKVKIDQDSA-N
Formula
C20H28N2O7
Mass
408.451
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 acid amides o-Aminophenols Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclitols and derivatives 1,3-dioxolanes Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Oxacyclic compounds Polyols Acetals Carbonyl compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaric acid or derivatives - Cinnamic acid amide - O-aminophenol - Aniline or substituted anilines - Phenylalkylamine - Aminophenol - Secondary aliphatic/aromatic amine - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Cyclitol or derivatives - Cyclic alcohol - Meta-dioxolane - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Amino acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Polyol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen 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