Compound Identification
SMILES
CC1=COC2=C1C(C)=CC1=C2C(C)=C(CC(O)=NCCCC2=CC=CO2)C(=O)O1
InChIKey
InChIKey=YBQBFSSKEKDQGM-UHFFFAOYSA-N
Formula
C23H23NO5
Mass
393.439
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
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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 Pyranones and derivatives Benzenoids Heteroaromatic compounds Furans Lactones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Pyran - Benzenoid - Furan - Heteroaromatic compound - Lactone - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen 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