Compound Identification
SMILES
COC1=C(OC\C=C(/C)CCC(O)C(C)(C)O)C=CC2=C1OC(=O)C=C2
InChIKey
InChIKey=AGIAPQOXXWKVOJ-ACCUITESSA-N
Formula
C20H26O6
Mass
362.422
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 Fatty alcohols Anisoles Pyranones and derivatives Alkyl aryl ethers Tertiary alcohols Heteroaromatic compounds Secondary alcohols Lactones 1,2-diols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Fatty alcohol - Anisole - Phenol ether - Alkyl aryl ether - Pyranone - Fatty acyl - Pyran - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Secondary alcohol - Lactone - 1,2-diol - Organoheterocyclic compound - Oxacycle - Ether - Alcohol - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - 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