Compound Identification
SMILES
OC1=CC=C(C=C1)[C@H]1COC2=CC=CC=C2[C@@H]1NC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=QOTCWRLMSFLHKL-NAKRPHOHSA-N
Formula
C29H25NO3
Mass
435.523
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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
Diphenylmethanes Phenylacetamides 1-benzopyrans Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary carboxylic acid amides Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Diphenylmethane - Chromane - Benzopyran - 1-benzopyran - Phenylacetamide - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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