Compound Identification
SMILES
COC1OC(OC)C2=C3O[C@@]4(C)CC[C@H]5C(C)(C)[C@H](CC[C@]5(C)[C@H]4CC3=C(O)C=C12)OC(C)=O
InChIKey
InChIKey=QWMFMXXBQRMPTO-KAPPIMGASA-N
Formula
C27H38O7
Mass
474.594
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
Isoflavans
- Level 5 Isoflavanols
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Subclass
Isoflavans
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanols
Alternative Parents
Xanthenes Naphthopyrans Naphthalenes Isocoumarans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyrans Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Dibenzopyran - Xanthene - Naphthopyran - Chromane - Benzopyran - 1-benzopyran - Naphthalene - Isocoumaran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Pyran - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanols. These are polycyclic compounds containing a hydroxylated isoflavan skeleton.
External Descriptors
Not available