Compound Identification
SMILES
CSC1=NC2=NC3=C(C(OC4=C3C=C(Cl)C=C4)C3=CC(Br)=CC=C3)C(N2N1)C1=CC=CC=C1F
InChIKey
InChIKey=ACUOJUPJYRJRSK-UHFFFAOYSA-N
Formula
C25H17BrClFN4OS
Mass
555.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flav-3-enes
-
Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Flav-3-enes
Alternative Parents
1-benzopyrans Alkyl aryl ethers Bromobenzenes Fluorobenzenes Aryl bromides Aryl chlorides Aryl fluorides Hydropyrimidines Triazolines Sulfenyl compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Imines Hydrocarbon derivatives Organobromides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Imine - Organohalogen compound - Organobromide - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
External Descriptors
Not available