Compound Identification
SMILES
COC1=C(COC2=CC=C(C=C2)C(=O)OCC(C)C)C=C(C=C1)[C@H]1C2=C(NN=C2OC(N)=C1C#N)C1=CC=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=MOQKFBHDPUPLTL-MGBGTMOVSA-N
Formula
C38H34N4O5
Mass
626.713
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
-
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
Biphenyls and derivatives Phenylpyrazoles Benzoic acid esters Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Heteroaromatic compounds Carboxylic acid esters Ketene acetals Nitriles Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Biphenyl - Phenylpyrazole - Benzoate ester - Benzoic acid or derivatives - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Nitrile - Carbonitrile - Amine - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Cyanide - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - 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