Compound Identification
SMILES
CCCC1CC(=O)OC2=C1C1=C(C=CC(C)(C)O1)C(O)=C2C(=O)C(C)C(C)O
InChIKey
InChIKey=QVXVUACNNIWBIU-UHFFFAOYSA-N
Formula
C22H28O6
Mass
388.46
Taxonomic Classification
Taxonomy Tree
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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
Pyranochromenes 2,2-dimethyl-1-benzopyrans Butyrophenones 3,4-dihydrocoumarins Aryl alkyl ketones Alkyl aryl ethers Beta-hydroxy ketones Vinylogous acids Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular pyranocoumarin - Pyranochromene - 2,2-dimethyl-1-benzopyran - 3,4-dihydrocoumarin - Butyrophenone - Chromane - Benzopyran - 1-benzopyran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Beta-hydroxy ketone - Vinylogous acid - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Alcohol - 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
CHEBI:65554 : coumarins