Compound Identification
SMILES
OC1=CC=CC(C2CC(=O)C3=C(O)C=CC(O)=C3S2)=C1O
InChIKey
InChIKey=MJVZKDCZMWWPMK-UHFFFAOYSA-N
Formula
C15H12O5S
Mass
304.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiochromanes
- Subclass Thioflavans
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Class
Thiochromanes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiochromanes
Subclass
Thioflavans
Intermediate Tree Nodes
Not available
Direct Parent
Thioflavans
Alternative Parents
1-benzothiopyrans Catechols Aryl alkyl ketones Alkylarylthioethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous thioesters Thiopyrans Benzene and substituted derivatives Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioflavan - Benzothiopyran - 1-benzothiopyran - Aryl thioether - Catechol - Aryl ketone - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Thiopyran - Vinylogous thioester - Vinylogous acid - Ketone - Thioether - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioflavans. These are compounds containing a thiochromane skeleton substituted at the 2-position with a phenyl group.
External Descriptors
Not available