Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)S(=O)(=O)N1[C@H](CC2=CC=CC=C2)CC[C@H]1C(=O)NC(CCCC1=CC=CC=C1)CCCC1=CC=CC=C1
InChIKey
InChIKey=XCULPTUNUXZGRQ-GIWKVKTRSA-N
Formula
C39H46N2O5S
Mass
654.87
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
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Class
Diarylheptanoids
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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
Proline and derivatives Alpha amino acid amides Phenylbutylamines Benzenesulfonamides Dimethoxybenzenes Benzenesulfonyl compounds Phenoxy compounds Anisoles Pyrrolidinecarboxamides Alkyl aryl ethers Organosulfonamides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Proline or derivatives - Alpha-amino acid amide - Phenylbutylamine - Alpha-amino acid or derivatives - Benzenesulfonamide - Dimethoxybenzene - O-dimethoxybenzene - Benzenesulfonyl group - Anisole - Pyrrolidine-2-carboxamide - Phenoxy compound - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrolidine - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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