Compound Identification
SMILES
CC[C@H]1CCCCN1CC1=C2OC(=O)C=C(CC)C2=CC(Cl)=C1O
InChIKey
InChIKey=IGAOLRKTALBPMO-ZDUSSCGKSA-N
Formula
C19H24ClNO3
Mass
349.86
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
1-benzopyrans Halophenols Pyranones and derivatives Aralkylamines Piperidines Aryl chlorides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 2-halophenol - Phenol - Pyranone - Aralkylamine - Benzenoid - Pyran - Piperidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Organoheterocyclic compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - 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