Compound Identification
SMILES
COC1=CC(OCCN2CCOCC2)=C(\C=C\C(=O)C2=CC=C(C=C2)S(N)(=O)=O)C=C1C1=CC=CS1
InChIKey
InChIKey=DKOQXANPQQFWBV-RMKNXTFCSA-N
Formula
C26H28N2O6S2
Mass
528.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Aryl ketones Benzoyl derivatives Styrenes Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Morpholines Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Enones Thiophenes Acryloyl compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Styrene - Aryl ketone - Phenol ether - Methoxybenzene - Phenoxy compound - Benzoyl - Anisole - Alkyl aryl ether - Benzenoid - Morpholine - Organosulfonic acid amide - Oxazinane - Monocyclic benzene moiety - Acryloyl-group - Heteroaromatic compound - Enone - Alpha,beta-unsaturated ketone - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiophene - Tertiary amine - Tertiary aliphatic amine - Ketone - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Azacycle - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available