Compound Identification
SMILES
COC1=CC2=C(C=C1)C(=O)[C@@H]1[C@H](O2)C(C)(C)SC2=CC=CC=C12
InChIKey
InChIKey=WIHMUPHHSCJAEM-AEFFLSMTSA-N
Formula
C19H18O3S
Mass
326.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflavans
- Level 5 Isoflavanones
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Subclass
Isoflavans
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanones
Alternative Parents
Chromones Thiochromanes 1-benzothiopyrans Aryl alkyl ketones Anisoles Alkylarylthioethers Alkyl aryl ethers Thiopyrans Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanone - Chromone - Chromane - Benzopyran - Thiochromane - 1-benzopyran - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Phenol ether - Anisole - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Thiopyran - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Thioether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanones. These are polycyclic compounds containing an isoflavan skeleton which bears a ketone at position C4.
External Descriptors
Not available