Compound Identification
SMILES
CC1=CC=C(C=C1)C1C2=CC(C(C3=CC=C(C)C=C3)C3=CC(C(C4=CC=C(C)C=C4)C4=C(O)C(CNCC(O)=O)=C(O)C(=C4)C(C4=CC=C(C)C=C4)C4=C(O)C(CNCC(O)=O)=C(O)C1=C4)=C(O)C(CNCC(O)=O)=C3O)=C(O)C(CNCC(O)=O)=C2O
InChIKey
InChIKey=XWGPKJHMXSKBBB-UHFFFAOYSA-N
Formula
C68H68N4O16
Mass
1197.304
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 Alpha amino acids Toluenes Phenols Aralkylamines Amino acids Polyols Dialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Tetracarboxylic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Aralkylamine - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Amino acid - Secondary amine - Polyol - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic homopolycyclic 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