Compound Identification
SMILES
CC1=C(N2CCCCC2CC(N)=O)C2=C(O1)C=CC1=C2OC(=O)C=C1C
InChIKey
InChIKey=JGWREVJNJBWGQQ-UHFFFAOYSA-N
Formula
C20H22N2O4
Mass
354.406
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
Beta amino acids and derivatives 1-benzopyrans Benzofurans Dialkylarylamines Pyranones and derivatives Piperidines Benzenoids Furans Heteroaromatic compounds Primary carboxylic acid amides Lactones Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Beta amino acid or derivatives - Benzopyran - 1-benzopyran - Benzofuran - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Pyranone - Piperidine - Pyran - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Lactone - Primary carboxylic acid amide - Tertiary amine - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - 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