Compound Identification
SMILES
OCC1O[C@@H](OCC2(O)CO[C@@H](OC3=CC=C(C=C3)C3=COC4=CC(O[C@@H]5OC[C@@](O)(CO[C@H]6OC(CO)[C@H](O)C(O)C6O)C5O)=CC(O)=C4C3=O)[C@H]2O)C(O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=LOSLKNDENQPHQW-MOQNAXLHSA-N
Formula
C37H46O23
Mass
858.752
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-2-enes
- Level 5 Isoflavones
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Subclass
Isoflav-2-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Hydroxyisoflavonoids Phenolic glycosides Chromones O-glycosyl compounds Phenoxy compounds Phenol ethers Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Vinylogous acids Tertiary alcohols Oxolanes Heteroaromatic compounds Secondary alcohols Polyols Acetals Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydroxyisoflavonoid - Isoflavone - Phenolic glycoside - Chromone - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Monocyclic benzene moiety - Monosaccharide - Oxane - Pyran - Benzenoid - Oxolane - Heteroaromatic compound - Vinylogous acid - Tertiary alcohol - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Primary alcohol - Organooxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
LIPIDMAPS (LMPK12050172) : Isoflavonoids