Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C(=O)C1COC2=C(C1)C(=O)OC1=C2C=C(Br)C=C1
InChIKey
InChIKey=BJCJQCQKCILYCE-UHFFFAOYSA-N
Formula
C21H17BrO6
Mass
445.265
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Coumarins and derivatives
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Subclass
Pyranocoumarins
- Level 5 Angular pyranocoumarins
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Subclass
Pyranocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Pyranocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular pyranocoumarins
Alternative Parents
Alkyl-phenylketones 1-benzopyrans Dimethoxybenzenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Aryl bromides Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Alkyl-phenylketone - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Phenylketone - Benzoyl - Phenol ether - Anisole - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Pyranone - Aryl halide - Benzenoid - Aryl bromide - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous ester - Lactone - Ketone - Ether - Organoheterocyclic compound - Oxacycle - Organohalogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular pyranocoumarins. These are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety.
External Descriptors
Not available