Compound Identification
SMILES
COC1=CC(OC)=C(C(O)=O)C(CC2=CC3=CC(OC)=CC(OC)=C3C(=O)O2)=C1
InChIKey
InChIKey=OYHVOVNGKJTGPX-UHFFFAOYSA-N
Formula
C21H20O8
Mass
400.383
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isocoumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Isocoumarins and derivatives
Alternative Parents
P-methoxybenzoic acids and derivatives O-methoxybenzoic acids and derivatives 2-benzopyrans Dimethoxybenzenes Benzoic acids Phenoxy compounds Anisoles Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isocoumarin - O-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzopyran - 2-benzopyran - Dimethoxybenzene - M-dimethoxybenzene - Benzoic acid or derivatives - Benzoic acid - Methoxybenzene - Benzoyl - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Lactone - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.
External Descriptors
Not available