Compound Identification
SMILES
COC1=CC2=C(C=C1)[C@@H]1[C@H](S2)C2=CC=CC=C2OC1=O
InChIKey
InChIKey=RGCKVUBSZOMTID-HUUCEWRRSA-N
Formula
C16H12O3S
Mass
284.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflavans
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavans
Alternative Parents
3,4-dihydrocoumarins 1-benzopyrans Anisoles Alkylarylthioethers Alkyl aryl ethers Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Thioether - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available