Compound Identification
SMILES
ClC1=CC=C(C=C1)[C@@H]1OC2=CC=CC=C2C2=C1[C@@H](N1NC=NC1=N2)C1=C(Cl)C=C(Cl)C=C1
InChIKey
InChIKey=KQJPJYYQRQZVAG-GOTSBHOMSA-N
Formula
C24H15Cl3N4O
Mass
481.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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 Dichlorobenzenes Alkyl aryl ethers Hydropyrimidines Aryl chlorides Triazolines Amidrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Formamidines Azacyclic compounds Organochlorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Benzopyran - 1-benzopyran - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - 1,6-dihydropyrimidine - Triazoline - Carboxylic acid amidrazone - Amidine - Formamidine - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Imine - Organohalogen compound - 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