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(OCCO)=CC=C1)C(C(OC2=O)C1=CC=CC=C1)C1=CC=CC=C1)C(O)=O
InChIKey
InChIKey=PVLNUTQKWIKKBC-UHFFFAOYSA-N
Formula
C53H45N3O9
Mass
867.955
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
Stilbenes Alpha amino acid esters Phenylmorpholines Indolecarboxylic acids and derivatives Phenylpyrrolidines Polyethylene glycols Pyrroline carboxylic acids and derivatives Pyrrolidinecarboxamides Pyrrolidine carboxylic acids Phenoxy compounds Methoxybenzenes Anisoles Hydroxy fatty acids Fatty acid esters Aralkylamines Amino fatty acids Alkyl aryl ethers N-alkylpyrrolidines N-acyl amines Dicarboxylic acids and derivatives Pyrroles Dicarboximides Trialkylamines Organic carbonic acids and derivatives Lactones Carboxylic acid esters Amino acids Oxacyclic compounds Haloacetylenes and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Alcohols and polyols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Stilbene - Alpha-amino acid ester - Phenylmorpholine - Indolecarboxylic acid derivative - 2-phenylpyrrolidine - Polyethylene glycol - Alpha-amino acid or derivatives - Indole or derivatives - Phenoxy compound - Methoxybenzene - Pyrroline carboxylic acid or derivatives - Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - Phenol ether - Anisole - Aralkylamine - Hydroxy fatty acid - Fatty acid ester - Amino fatty acid - Alkyl aryl ether - Fatty acyl - Benzenoid - N-alkylpyrrolidine - Oxazinane - N-acyl-amine - Morpholine - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Pyrroline - Pyrrolidine - Pyrrole - Dicarboximide - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Lactone - Carboxylic acid ester - Amino acid or derivatives - Haloacetylene or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - 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