Compound Identification
SMILES
COC(=O)C1=CC=C(C=C1)C#CC1=CC=C(C=C1)C12CC3(CC(CC(C3)(C1)C1=CC=C(C=C1)C#CC1=CC=C(CSC(C)=O)C=C1)(C2)C1=CC=C(C=C1)C#CC1=CC=C(CSC(C)=O)C=C1)C1=CC=C(C=C1)C#CC1=CC=C(CSC(C)=O)C=C1
InChIKey
InChIKey=GJKRUFPKSUPIMB-UHFFFAOYSA-N
Formula
C77H62O5S3
Mass
1163.52
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
Benzoic acid esters Benzoyl derivatives Methyl esters Thioesters Carbothioic S-esters Sulfenyl compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Monocyclic benzene moiety - Benzenoid - Methyl ester - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organic oxide - 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