Compound Identification
SMILES
CCCC1=CC(=O)OC2=C1C=CC(O)=C2CN[C@H](C)C(O)=O
InChIKey
InChIKey=BFBKOIIDFSEFDL-SECBINFHSA-N
Formula
C16H19NO5
Mass
305.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
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
Alanine and derivatives 1-benzopyrans D-alpha-amino acids Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Heteroaromatic compounds Amino acids Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Dialkylamines Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Alanine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - D-alpha-amino acid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Aralkylamine - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Lactone - Amino acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - 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