Compound Identification
SMILES
COc1cc(OC)c2C(=O)C(=C(Oc2c1)C(C)(C)O)C1=C(O)C(=O)C(O)=C(O)C1=O
InChIKey
InChIKey=HVBQVVMXBZCVMF-UHFFFAOYSA-N
Formula
C20H18O10
Mass
418.354
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
Isoflav-2-enes
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Level 5
Isoflavones
- Level 6 Isoflavonequinones
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Level 5
Isoflavones
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Subclass
Isoflav-2-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-2-enes
Intermediate Tree Nodes
Isoflavones
Direct Parent
Isoflavonequinones
Alternative Parents
Ubiquinones Chromones Butyrophenones P-benzoquinones Aryl ketones Anisoles Pyranones and derivatives Alkyl aryl ethers Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Vinylogous acids Tertiary alcohols Heteroaromatic compounds Enones Alpha-hydroxy ketones Acryloyl compounds Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Ubiquinone skeleton - Isoflavonequinone - Prenylbenzoquinone - Chromone - Butyrophenone - 1-benzopyran - Benzopyran - Aryl ketone - Quinone - P-benzoquinone - Anisole - Pyranone - Alkyl aryl ether - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous ester - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Alpha-hydroxy ketone - Acryloyl-group - Cyclic ketone - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavonequinones. These are isoflavones where the phenyl group carries two C=O groups at position 1 and 4, respectively.
External Descriptors
Not available