Compound Identification
SMILES
CC1=CC=CC=C1N=C1CC2=C(O1)C=CC1=C2OC(=O)C=C1C
InChIKey
InChIKey=COCXUGRDZPSEEP-UHFFFAOYSA-N
Formula
C19H15NO3
Mass
305.333
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
-
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 Coumarans Toluenes Pyranones and derivatives Heteroaromatic compounds Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Coumaran - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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