Compound Identification
SMILES
CCOC1=CC=CC=C1C1OC2=C(C=C(Cl)C=C2)C2=C1C(N1NC=NC1=N2)C1=CN=CC=C1
InChIKey
InChIKey=XNUJRWYELXRNED-UHFFFAOYSA-N
Formula
C25H20ClN5O2
Mass
457.92
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Aryl chlorides Hydropyrimidines Triazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Formamidines Organopnictogen compounds Organochlorides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Pyridine - Benzenoid - Triazoline - Heteroaromatic compound - Carboxylic acid amidrazone - Amidine - Formamidine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organopnictogen compound - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen 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