Compound Identification
SMILES
COC1=C(C=C2C=CC(=O)OC2=C1)C(OC(=O)C(\C)=C/C)C(O)C(C)(C)O
InChIKey
InChIKey=BAHUBXAYVOCLNA-WDZFZDKYSA-N
Formula
C20H24O7
Mass
376.405
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 Anisoles Pyranones and derivatives Fatty acid esters Alkyl aryl ethers Tertiary alcohols Heteroaromatic compounds Enoate esters Secondary alcohols 1,2-diols Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acyl - Pyran - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Tertiary alcohol - Enoate ester - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Alcohol - Organic oxide - 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