Compound Identification
SMILES
CC1=C(C)C2=C(C=C1)C(CSC1=NN=C(N1C1=CC=CC=C1)C1=CC3=C(OCO3)C=C1)=CC(=O)O2
InChIKey
InChIKey=FVTHTTXHGZQWFD-UHFFFAOYSA-N
Formula
C27H21N3O4S
Mass
483.54
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
Phenyl-1,2,4-triazoles 1-benzopyrans Benzodioxoles Pyranones and derivatives Alkylarylthioethers Benzene and substituted derivatives Heteroaromatic compounds Lactones Azacyclic compounds Oxacyclic compounds Acetals Sulfenyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltriazole - Phenyl-1,2,4-triazole - Coumarin - 1-benzopyran - Benzopyran - Benzodioxole - Aryl thioether - Pyranone - Alkylarylthioether - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - 1,2,4-triazole - Azole - Triazole - Lactone - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Thioether - Sulfenyl compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - 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