Compound Identification
SMILES
COC1=CC=C(C=C1)C#CC1=CC2=C(C=C1)N(C(=O)NC(C)C1=CC=CC=C1)C(=O)C21C(C2N(C1C1=CC=CC=C1OCCO)C(C(OC2=O)C1=CC=CC=C1)C1=CC=CC=C1)C(N)=O
InChIKey
InChIKey=IHUNSKSPZLKPAZ-UHFFFAOYSA-N
Formula
C53H46N4O8
Mass
866.971
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
Stilbenes Alpha amino acid esters Indolecarboxylic acids and derivatives Phenylmorpholines Phenylpyrrolidines Pyrrolidinecarboxamides Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Aralkylamines N-acyl ureas N-alkylpyrrolidines Pyrroles Dicarboximides Lactones Primary carboxylic acid amides Carboxylic acid esters Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Stilbene - Alpha-amino acid ester - Indolecarboxylic acid derivative - Phenylmorpholine - 2-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Alkyl aryl ether - N-acyl urea - Aralkylamine - Ureide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Dicarboximide - Pyrrole - Carboxylic acid ester - Carboxamide group - Lactone - Tertiary aliphatic amine - Urea - Carbonic acid derivative - Tertiary amine - Primary carboxylic acid amide - Amino acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Primary alcohol - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Amine - 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