Compound Identification
SMILES
CC1=C(CNC(=O)CCCC(=O)NCCN)C2=C(O1)C(C)=C1OC(=O)C=C(C)C1=C2
InChIKey
InChIKey=QGJFANOWULUKDC-UHFFFAOYSA-N
Formula
C22H27N3O5
Mass
413.474
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
-
Level 5
Linear furanocoumarins
- Level 6 Psoralens
-
Level 5
Linear furanocoumarins
-
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
Linear furanocoumarins
Direct Parent
Psoralens
Alternative Parents
1-benzopyrans Benzofurans Pyranones and derivatives N-acyl amines Benzenoids Heteroaromatic compounds Furans Secondary carboxylic acid amides Lactones Amino acids and derivatives Oxacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Psoralen - Benzopyran - 1-benzopyran - Benzofuran - Pyranone - Fatty amide - Fatty acyl - Benzenoid - Pyran - N-acyl-amine - Heteroaromatic compound - Furan - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Primary aliphatic amine - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as psoralens. These are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one.
External Descriptors
Not available