Compound Identification
SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)OC4=C5COC(=O)C5=CC(O)=C4C[C@H]23)C1(C)C
InChIKey
InChIKey=BOVRDZLKBBUXQQ-BOWIAGTOSA-N
Formula
C25H32O6
Mass
428.525
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 Phthalides Naphthalenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyrans Dicarboxylic acids and derivatives Lactones Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Dibenzopyran - Xanthene - Naphthopyran - Chromane - Isobenzofuranone - Benzopyran - Naphthalene - 1-benzopyran - Phthalide - Isocoumaran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Carbonyl group - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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
CHEBI:67848 : hydroxyisoflavans