Compound Identification
SMILES
COC1=CC=C(C=C1)C1=CC2=C(OC1=O)C=C(OC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1)C=C2
InChIKey
InChIKey=SVJLWXFIMOVRQR-UHFFFAOYSA-N
Formula
C29H33NO7
Mass
507.583
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
-
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 Phenoxy compounds Anisoles Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers Carbamate esters Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Lactone - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organooxygen 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