Compound Identification
SMILES
CCCOC1=CC(OCCC)=C(C=CC(=O)C2=CC3=C(SC4=CC=CC=C4N3)C=C2)C=C1
InChIKey
InChIKey=BSXCEIFYZAJMOI-UHFFFAOYSA-N
Formula
C27H27NO3S
Mass
445.58
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
-
Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
-
Subclass
Chalcones and dihydrochalcones
-
Class
Linear 1,3-diarylpropanoids
-
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
Phenothiazines Cinnamic acids and derivatives Diarylthioethers Styrenes Phenoxy compounds Phenol ethers Aryl ketones Alkyl aryl ethers 1,4-thiazines Primary aromatic amines Acryloyl compounds Enones Secondary amines Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Retrochalcone - Phenothiazine - Cinnamic acid or derivatives - Diarylthioether - Benzothiazine - Phenol ether - Phenoxy compound - Aryl thioether - Styrene - Aryl ketone - Alkyl aryl ether - Para-thiazine - Primary aromatic amine - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Azacycle - Organoheterocyclic compound - Thioether - Ether - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic 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