Compound Identification
SMILES
OC1=C(Br)C=C2C(OC(=O)C=C2C2OCC(COC3=CC=CC=C3)O2)=C1
InChIKey
InChIKey=IQIPPOUUPYDSMY-UHFFFAOYSA-N
Formula
C19H15BrO6
Mass
419.227
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 Phenoxy compounds Phenol ethers O-bromophenols Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aryl bromides 1,3-dioxolanes Heteroaromatic compounds Lactones Oxacyclic compounds Acetals Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-hydroxycoumarin - Benzopyran - 1-benzopyran - Phenoxy compound - 2-bromophenol - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Pyran - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl bromide - Heteroaromatic compound - Meta-dioxolane - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Organooxygen compound - Organobromide - Hydrocarbon derivative - 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