Compound Identification
SMILES
CC1=CC(COC2=C(C)C3=C(C=C2)C(C)=C(CC(=O)N2CCC4(O)CCCCC4C2)C(=O)O3)=CC(C)=C1
InChIKey
InChIKey=OBENKEVCDXEYKG-UHFFFAOYSA-N
Formula
C31H37NO5
Mass
503.639
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 N-acylpiperidines m-Xylenes Pyranones and derivatives Alkyl aryl ethers Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Lactones Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - M-xylene - Xylene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Piperidine - Pyran - Heteroaromatic compound - Cyclic alcohol - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxide - Alcohol - 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