Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)C2CC(CCC2=O)[N+]([O-])=O)C=C1.COC1=CC=C(\C=C\C(=O)C2C(C(C(CC2=O)C2=CC=C(OC)C=C2)[N+]([O-])=O)C2=CC(=CC=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YIUDKBHLOCWTOU-OGTQOGBDSA-N
Formula
C45H43N3O13
Mass
833.847
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
Cinnamic acids and derivatives Nitrobenzenes Anisoles Styrenes Methoxybenzenes Nitroaromatic compounds Phenoxy compounds Beta-diketones Alkyl aryl ethers Acryloyl compounds Enones Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Not available
Substituents
Linear 1,7-diphenylheptane skeleton - Cinnamic acid or derivatives - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Cyclic ketone - Organic nitro compound - C-nitro compound - Ketone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic salt - Organic nitrogen compound - Organic zwitterion - Aromatic homomonocyclic 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