Compound Identification
SMILES
COC1=CC(O)=C([C@H](C[C@@H](O)CCC2=CC=C(O)C=C2)C=CC2=CC=C(O)C=C2)C2=C1C(=O)C[C@H](O2)C1=CC=C(O)C=C1
InChIKey
InChIKey=LQWWCAPEPBPSDD-IBFLQGPHSA-N
Formula
C35H34O8
Mass
582.649
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
5-O-methylated flavonoids Lignans, neolignans and related compounds Flavanones 7-hydroxyflavonoids 4'-hydroxyflavonoids Chromones Fatty alcohols Styrenes Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - 5-methoxyflavonoid-skeleton - Norlignan skeleton - Hydroxyflavonoid - Flavanone - 7-hydroxyflavonoid - 4'-hydroxyflavonoid - Flavan - Chromone - 1-benzopyran - Benzopyran - Chromane - Fatty alcohol - Aryl alkyl ketone - Aryl ketone - Styrene - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available