Compound Identification
SMILES
COC1=C(C)C([C@@H](C)[C@@H](C)OC(=O)[C@](OC)(C2=CC=CC=C2)C(F)(F)F)=C2C=C(C(=O)OC2=C1)C1=CC(=O)CC(C)O1
InChIKey
InChIKey=SYUNRBKPNJLTBR-RAEGKMDQSA-N
Formula
C31H31F3O8
Mass
588.576
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 Benzylethers Anisoles Alkyl aryl ethers Dihydropyranones Heteroaromatic compounds Vinylogous esters Lactones Cyclic ketones Carboxylic acid esters Dialkyl ethers Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organofluorides Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Benzylether - Anisole - Phenol ether - Alkyl aryl ether - Dihydropyranone - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Carboxylic acid ester - Cyclic ketone - Ketone - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Alkyl halide - Carbonyl group - Alkyl fluoride - Organic oxygen compound - Organooxygen compound - Organofluoride - Organic oxide - Organohalogen compound - Hydrocarbon derivative - 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