Compound Identification
SMILES
CCOC1=C(C[NH+](C)C)C(OC2=CC=CC=C12)C1=CC=C(F)C=C1
InChIKey
InChIKey=SMZKINMCPJGVHA-UHFFFAOYSA-O
Formula
C20H23FNO2
Mass
328.407
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Flavonoids
- Subclass Flav-3-enes
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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 Fluorobenzenes Alkyl aryl ethers Aryl fluorides Quaternary ammonium salts Trialkylamines Oxacyclic compounds Organofluorides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Quaternary ammonium salt - Tertiary aliphatic amine - Tertiary amine - Ether - Organoheterocyclic compound - Oxacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - 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