Compound Identification
SMILES
FC1=CC=CC=C1C1N2NC=NC2=NC2=C1C(OC1=C2C=C(Cl)C=C1)C1=CC(Br)=CC=C1
InChIKey
InChIKey=YMHQTGKBCNDSEK-UHFFFAOYSA-N
Formula
C24H15BrClFN4O
Mass
509.76
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
- Subclass Flav-3-enes
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Class
Flavonoids
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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 Fluorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Hydropyrimidines Aryl fluorides Triazolines Amidrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Formamidines Azacyclic compounds Hydrocarbon derivatives Imines Organobromides Organochlorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - 1-benzopyran - Benzopyran - Bromobenzene - Fluorobenzene - Alkyl aryl ether - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - 1,6-dihydropyrimidine - Aryl bromide - Triazoline - Carboxylic acid amidrazone - Amidine - Formamidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Imine - Organohalogen compound - Organobromide - Organochloride - 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