Compound Identification
SMILES
OC1CC(OC2=C1C=C(OC1=NC=C(C=C1)[N+]([O-])=O)C=C2)C1=C(F)C=CC=C1F
InChIKey
InChIKey=AVKWATHPSGTVGX-UHFFFAOYSA-N
Formula
C20H14F2N2O5
Mass
400.338
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Flavans
- Level 5 Flavan-4-ols
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Subclass
Flavans
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Class
Flavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Flavans
Intermediate Tree Nodes
Not available
Direct Parent
Flavan-4-ols
Alternative Parents
4-hydroxyflavonoids Diarylethers 1-benzopyrans Nitroaromatic compounds Alkyl aryl ethers Fluorobenzenes Pyridines and derivatives Aryl fluorides Heteroaromatic compounds Secondary alcohols Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organofluorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-hydroxyflavonoid - Hydroxyflavonoid - Flavan-4-ol - Diaryl ether - 1-benzopyran - Chromane - Benzopyran - Nitroaromatic compound - Alkyl aryl ether - Halobenzene - Fluorobenzene - Pyridine - Aryl fluoride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - C-nitro compound - Secondary alcohol - Organic nitro compound - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic salt - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as flavan-4-ols. These are flavans that bear and hydroxyl group at position 4 (B ring), but not at the 3-position.
External Descriptors
Not available