Compound Identification
SMILES
COC1(C)C[C@@H]2OCC3=CCC[C@@H](CCOC(=O)CC4=CC(=O)OC5=C4C=CC(=C5)N(C)C)[C@@]23O1
InChIKey
InChIKey=QJQMAKPBUKQGHH-FHTATOCSSA-N
Formula
C27H33NO7
Mass
483.561
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 Dialkylarylamines Furofurans Pyranones and derivatives Ketals Benzenoids Monosaccharides Oxolanes Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactones Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Furofuran - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Ketal - Pyranone - Monosaccharide - Benzenoid - Pyran - Heteroaromatic compound - Oxolane - Carboxylic acid ester - Lactone - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Dialkyl ether - Acetal - Ether - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organopnictogen 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