Compound Identification
SMILES
CCCCC1=CC(=O)OC2=C3CN(COC3=C(Cl)C=C12)C1=CC(OC)=C(OC)C=C1C(=O)OC
InChIKey
InChIKey=FZNJDOSFQXYQQS-UHFFFAOYSA-N
Formula
C25H26ClNO7
Mass
487.93
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
P-methoxybenzoic acids and derivatives M-methoxybenzoic acids and derivatives Benzoic acid esters Benzoxazines Dimethoxybenzenes 1-benzopyrans Methoxyanilines Benzoyl derivatives Dialkylarylamines Phenoxy compounds Anisoles Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Vinylogous amides Methyl esters Lactones Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzopyran - Benzoxazine - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Benzoic acid or derivatives - Methoxyaniline - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Phenoxy compound - Benzoyl - Phenol ether - Anisole - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Pyran - Aryl halide - Aryl chloride - Vinylogous amide - Methyl ester - Heteroaromatic compound - Lactone - Carboxylic acid ester - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Azacycle - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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