Compound Identification
SMILES
CNC(=O)COC1=CC=C(C=C1)C1=C(CC2=CC(OC)=C(C=C2)N2CCCC2)C=CC(O)=C1
InChIKey
InChIKey=QDONQRBBGQBKIQ-UHFFFAOYSA-N
Formula
C27H30N2O4
Mass
446.547
Taxonomic Classification
Taxonomy Tree
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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
Diphenylmethanes Biphenyls and derivatives Phenylpyrrolidines Aminophenyl ethers Methoxyanilines Anisoles Dialkylarylamines Phenoxy compounds Methoxybenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyrroles Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Diphenylmethane - Biphenyl - 1-phenylpyrrolidine - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenol ether - Phenoxy compound - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Secondary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - 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