Compound Identification
SMILES
O=C(C=CC=CC1=CC=CC=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=MAEHLJOAKVDOAR-UHFFFAOYSA-N
Formula
C20H14O3
Mass
302.329
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Styrenes Aryl ketones Pyranones and derivatives Heteroaromatic compounds Enones Acryloyl compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Styrene - Aryl ketone - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Enone - Acryloyl-group - Alpha,beta-unsaturated ketone - Lactone - Ketone - Oxacycle - Organoheterocyclic compound - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors
Not available