Compound Identification
SMILES
CC1(C)OC(C)(C)C(=O)C(C1=O)C1=C(C=CC(OC2=NC3=CC=CC=C3N=C2)=C1)C1CC1CC1(C)OC(C)(C)C(=O)C(C1=O)C1=C(C=CC(OC2=NC3=C(S2)C=C(Cl)C=C3)=C1)C1CC1
InChIKey
InChIKey=CQGMIGVYXNAFHP-UHFFFAOYSA-N
Formula
C51H48ClN3O8S
Mass
898.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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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
Diarylethers Quinoxalines Benzothiazoles Phenoxy compounds Phenol ethers Beta-diketones Pyrazines Oxanes Aryl chlorides Thiazoles Heteroaromatic compounds Cyclic ketones Dialkyl ethers Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Diaryl ether - Quinoxaline - 1,3-benzothiazole - Phenoxy compound - Phenol ether - 1,3-diketone - Aryl halide - Benzenoid - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Pyrazine - Aryl chloride - Oxane - Heteroaromatic compound - Azole - Thiazole - Cyclic ketone - Ketone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - 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