Compound Identification
SMILES
O=C(NC1=NC(=CS1)C1=CC2=CC=CC=C2C=C1)C1=CC=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=STCFHJNGMWAZQG-UHFFFAOYSA-N
Formula
C29H18N2O3S
Mass
474.53
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
Coumarins and derivatives 1-benzopyrans Naphthalenes Benzamides Benzoyl derivatives Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Lactones Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Naphthalene - Benzopyran - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - 2,4-disubstituted 1,3-thiazole - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available