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=CS2)C=C1
InChIKey
InChIKey=LSULUSCSZOCYOZ-VSHKFBMXSA-N
Formula
C27H25NO6S
Mass
491.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
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 Anisoles Methoxybenzenes Phenoxy compounds Styrenes Alkyl aryl ethers Beta-diketones Heteroaromatic compounds Enones Thiophenes Acryloyl compounds Cyclic ketones C-nitro compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Cinnamic acid or derivatives - Styrene - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - 1,3-diketone - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Enone - Alpha,beta-unsaturated ketone - Acryloyl-group - Thiophene - Heteroaromatic compound - Organic nitro compound - Ketone - C-nitro compound - Cyclic ketone - Organic 1,3-dipolar compound - Organic oxoazanium - Ether - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic salt - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Aromatic heteromonocyclic 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