Compound Identification
SMILES
OC(=O)CCC1=CC(CC2=C(O)C(CC3=CC(CCC(O)=O)=CC(CC4=C(O)C=CC(CCC(O)=O)=C4)=C3O)=CC(CCC(O)=O)=C2)=C(O)C=C1
InChIKey
InChIKey=CZZHYUKNOQYVHB-UHFFFAOYSA-N
Formula
C39H40O12
Mass
700.737
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
-
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
Tetracarboxylic acids and derivatives Diphenylmethanes Phenylpropanoic acids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Diphenylmethane - Tetracarboxylic acid or derivatives - 3-phenylpropanoic-acid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid derivative - Carboxylic acid - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic 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