Compound Identification
SMILES
COC1=C(NC(=S)NC(=O)C2=CC=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O
InChIKey
InChIKey=AHAVQUZMJYZCLW-UHFFFAOYSA-N
Formula
C28H19N3O7S
Mass
541.53
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
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
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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
N-acyl-phenylthioureas Coumarins and derivatives 1-benzopyrans Methoxyanilines Nitrobenzenes Phenoxy compounds Anisoles Furoic acid and derivatives Methoxybenzenes Nitroaromatic compounds Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Thioureas Organic oxoazanium compounds Carboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Coumarin - 1-benzopyran - N-phenylthiourea - Benzopyran - Nitrobenzene - Methoxyaniline - Nitroaromatic compound - Methoxybenzene - Phenoxy compound - Furoic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Organic nitro compound - Lactone - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic zwitterion - 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