Compound Identification
SMILES
CC1=CC(O)=C(OC2=CC(C)=C3OC4(C)CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C4CC3=C2)C2=C1OC1(C)CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1C2
InChIKey
InChIKey=RKICXLYNWJAAJU-UHFFFAOYSA-N
Formula
C54H78O6
Mass
823.212
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
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 Diarylethers Naphthalenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyrans Secondary alcohols Cyclic alcohols and derivatives Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Dibenzopyran - Naphthopyran - Xanthene - Diaryl ether - Chromane - Benzopyran - Naphthalene - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyran - Benzenoid - Cyclic alcohol - Secondary alcohol - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - 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