Compound Identification
SMILES
CCC1=C(O)C=C2OC(=O)C=C(C[NH+]3CCC(CC3)C(=O)OC)C2=C1
InChIKey
InChIKey=KPECYJXOLJKJDB-UHFFFAOYSA-O
Formula
C19H24NO5
Mass
346.402
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
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Subclass
Hydroxycoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Hydroxycoumarins
Intermediate Tree Nodes
Not available
Direct Parent
7-hydroxycoumarins
Alternative Parents
1-benzopyrans Piperidinecarboxylic acids Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Quaternary ammonium salts Methyl esters Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Piperidinecarboxylic acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Piperidine - Pyran - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Methyl ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
External Descriptors
Not available