Compound Identification
SMILES
OC1=C(Br)C=C2C(OC(=O)C=C2C2OCC3OC(OC3CO2)C2=CC=CC=C2)=C1
InChIKey
InChIKey=ITFWJKIHQKUMBR-UHFFFAOYSA-N
Formula
C21H17BrO7
Mass
461.264
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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 O-bromophenols Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1,3-dioxepanes Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds 1,3-dioxolanes Lactones Oxacyclic compounds Acetals Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - 1-benzopyran - Benzopyran - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dioxepane - Pyranone - Dioxepane - Aryl bromide - Aryl halide - Benzenoid - Pyran - Monocyclic benzene moiety - Meta-dioxolane - Heteroaromatic compound - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen 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