Compound Identification
SMILES
CC1=CC(NC2=COC3=C2C2=C(C=C3)C(C)=CC(=O)O2)=CC=C1
InChIKey
InChIKey=WOBVXTYTTGISQY-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 Benzofurans Aniline and substituted anilines Aminotoluenes Pyranones and derivatives Heteroaromatic compounds Furans Lactones Secondary amines Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzofuran - Aminotoluene - Aniline or substituted anilines - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Secondary amine - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organopnictogen compound - 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