Compound Identification
SMILES
[O-][N+](=O)C1=CN=C(OC2=CC3=C(CC(CO3)C3=CC(F)=CC=C3)C=C2)C=C1
InChIKey
InChIKey=MXJZJVWVHUGNLF-UHFFFAOYSA-N
Formula
C20H15FN2O4
Mass
366.348
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflavans
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavans
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavans
Alternative Parents
Diarylethers 1-benzopyrans Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organofluorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavan - Diaryl ether - Chromane - Benzopyran - 1-benzopyran - Nitroaromatic compound - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Organic oxoazanium - Oxacycle - Organic nitrogen compound - Organic salt - Organohalogen compound - Organofluoride - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavans. These are polycyclic compounds with a structure based on the 3-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.
External Descriptors
Not available