Compound Identification
SMILES
CC(O)(CC=C)C1CC2=C(O1)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=ATQPDIWKRFFIAK-UHFFFAOYSA-N
Formula
C16H16O4
Mass
272.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Angular furanocoumarins
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Subclass
Furanocoumarins
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Class
Coumarins and derivatives
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Furanocoumarins
Intermediate Tree Nodes
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Vinylogous esters Tertiary alcohols Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Tertiary alcohol - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as angular furanocoumarins. These are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin.
External Descriptors
Not available