Compound Identification
SMILES
COC1=C(CSC2=NC3=CC=CC=C3S2)C=C(C=C1)C1C2=C(OC3=C1C(=O)OC1=CC=CC=C31)C1=CC=CC=C1OC2=O
InChIKey
InChIKey=DZTRGCPDZWAUFG-UHFFFAOYSA-N
Formula
C34H21NO6S2
Mass
603.66
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
Diarylethers 1-benzopyrans Benzothiazoles Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Pyranones and derivatives Heteroaromatic compounds Thiazoles Vinylogous esters Lactones Sulfenyl compounds Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Coumarin - 1-benzopyran - Benzopyran - 1,3-benzothiazole - Phenol ether - Phenoxy compound - Methoxybenzene - Aryl thioether - Anisole - Alkylarylthioether - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Thiazole - Vinylogous ester - Heteroaromatic compound - Azole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur 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