Compound Identification
SMILES
COC1=C2C[C@H]3[C@](C)(CC[C@H]4C(C)(C)C(=O)CC[C@]34C)OC2=C(C)C2=C1C(=O)OC2
InChIKey
InChIKey=JCUWKPURUZEBFJ-MZXZQTHYSA-N
Formula
C25H32O5
Mass
412.526
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 Anisoles Alkyl aryl ethers Pyrans Lactones Cyclic ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanol - Dibenzopyran - Xanthene - Naphthopyran - Isobenzofuranone - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Phthalide - Isocoumaran - Anisole - Alkyl aryl ether - Benzenoid - Pyran - Cyclic ketone - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen 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