Compound Identification
SMILES
COC1=CC=C(\C=C\C(=O)[C@H]2[C@@H]([C@H]([C@H](CC2=O)C2=CC=C(OC)C=C2)[N+]([O-])=O)C2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=VVVMCAXNALYRKI-TXJWTVSFSA-N
Formula
C29H26ClNO6
Mass
519.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
-
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
Cinnamic acids and derivatives Styrenes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Beta-diketones Chlorobenzenes Aryl chlorides Acryloyl compounds Enones C-nitro compounds Cyclic ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Cinnamic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Styrene - Alkyl aryl ether - 1,3-diketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - Acryloyl-group - Alpha,beta-unsaturated ketone - Enone - Cyclic ketone - Organic nitro compound - C-nitro compound - Ketone - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Carbonyl group - Organochloride - Hydrocarbon derivative - Organic oxide - Organonitrogen 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