Compound Identification
SMILES
CN(C1=CC=CC=C1)C1=C(Cl)C(=O)OC2=C1C=CC1=C2C=CO1
InChIKey
InChIKey=HUQUXMHGDXCBJE-UHFFFAOYSA-N
Formula
C18H12ClNO3
Mass
325.75
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Coumarins and derivatives
-
Subclass
Furanocoumarins
- Level 5 Angular 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
Not available
Direct Parent
Angular furanocoumarins
Alternative Parents
Alkyldiarylamines 1-benzopyrans Benzofurans Aniline and substituted anilines Pyranones and derivatives Aryl chlorides Vinylogous amides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Alkyldiarylamine - Benzopyran - 1-benzopyran - Benzofuran - Aniline or substituted anilines - Tertiary aliphatic/aromatic amine - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Vinylogous amide - Heteroaromatic compound - Furan - Tertiary amine - Lactone - Oxacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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