Compound Identification
SMILES
CC(C)(C)C1=C2OC(=O)C(C2=CC(CCC(O)=O)=C1)C1=CC=CC=C1
InChIKey
InChIKey=PFZIYTABXKFRKI-UHFFFAOYSA-N
Formula
C21H22O4
Mass
338.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Coumarans
- Subclass 1-phenylcoumarans
-
Class
Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
1-phenylcoumarans
Intermediate Tree Nodes
Not available
Direct Parent
1-phenylcoumarans
Alternative Parents
Benzofurans Dicarboxylic acids and derivatives Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - Benzofuran - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.
External Descriptors
Not available