Compound Identification
SMILES
COC1=CC(OC)=C(C=C1)C1=CC2=C(OC1=O)C=C(OC(=O)C1=CC(OC)=CC(OC)=C1)C=C2
InChIKey
InChIKey=OFPYCSUSJIJARJ-UHFFFAOYSA-N
Formula
C26H22O8
Mass
462.454
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
M-methoxybenzoic acids and derivatives Coumarins and derivatives 1-benzopyrans Benzoic acid esters Dimethoxybenzenes Phenoxy compounds Anisoles Benzoyl derivatives Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - M-methoxybenzoic acid or derivatives - Benzopyran - 1-benzopyran - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen 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