Compound Identification
SMILES
CC1=C(CCC(=O)N2CCC3(O)CCCCC3C2)C(=O)OC2=C1C=CC(OCC1=CC(Br)=CC=C1)=C2
InChIKey
InChIKey=PQFRZMCRQJODBT-UHFFFAOYSA-N
Formula
C29H32BrNO5
Mass
554.481
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 Pyranones and derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Tertiary carboxylic acid amides Tertiary alcohols Heteroaromatic compounds Cyclic alcohols and derivatives Lactones Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - N-acyl-piperidine - Alkyl aryl ether - Halobenzene - Pyranone - Bromobenzene - Aryl bromide - Aryl halide - Piperidine - Monocyclic benzene moiety - Benzenoid - Pyran - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary alcohol - Cyclic alcohol - Carboxamide group - Lactone - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organobromide - Organooxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen 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