Compound Identification
SMILES
CN1C(COC2=CC=C(Br)C=C2)=C(COC(=O)C2=CC(Cl)=CC=C2)C2=C1C=CC1=C2C=CC(=O)O1
InChIKey
InChIKey=FTDBDBDOSJPEPH-UHFFFAOYSA-N
Formula
C27H19BrClNO5
Mass
552.81
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
Benzoic acid esters 1-benzopyrans 3-alkylindoles 3-halobenzoic acids and derivatives N-alkylindoles Phenoxy compounds Phenol ethers Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl chlorides Aryl bromides N-methylpyrroles Heteroaromatic compounds Carboxylic acid esters Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Organobromides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - 3-alkylindole - Benzoate ester - N-alkylindole - Benzoic acid or derivatives - Indole or derivatives - Indole - Phenol ether - Benzoyl - Phenoxy compound - Pyranone - Bromobenzene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl bromide - Aryl chloride - Aryl halide - N-methylpyrrole - Pyran - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Lactone - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organic oxide - Organobromide - Organohalogen compound - Hydrocarbon derivative - 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