Compound Identification
SMILES
OC1=C(Br)C=C2C(OC(=O)C=C2C2COC3(CCCCC3)O2)=C1
InChIKey
InChIKey=FPPLBQMPFZLZLA-UHFFFAOYSA-N
Formula
C17H17BrO5
Mass
381.222
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Hydroxycoumarins
- Level 5 7-hydroxycoumarins
-
Subclass
Hydroxycoumarins
-
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 O-bromophenols Pyranones and derivatives Ketals 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Heteroaromatic compounds 1,3-dioxolanes Lactones Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Pyranone - Aryl bromide - Benzenoid - Aryl halide - Pyran - Heteroaromatic compound - Meta-dioxolane - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen 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