Compound Identification
SMILES
COC(=O)COC1=C(C=C(C=C1C1=CC=C(OC)C=C1)C1=CC=C(C=C1)C1=C(CC2=CC=CC=C2)SC2=CC=CC=C12)C1=CC=C(OC)C=C1
InChIKey
InChIKey=YGKOXODHWXFQOH-UHFFFAOYSA-N
Formula
C44H36O5S
Mass
676.83
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
Biphenyls and derivatives Phenoxyacetic acid derivatives 1-benzothiophenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiophenes Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Biphenyl - Phenoxyacetate - Benzothiophene - 1-benzothiophene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Methyl ester - Thiophene - Heteroaromatic compound - Carboxylic acid ester - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - 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