Compound Identification
SMILES
C[C@@H](COC1=CC=C(C=C1)C1OC2=C(C(C)=C1C1=CC=CC(=C1)C#N)C(F)=C(O)C=C2)N1CC[C@@H](C)C1
InChIKey
InChIKey=LPBYFWCRJSUPPP-ZCIPHSPUSA-N
Formula
C31H31FN2O3
Mass
498.598
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Flavonoids
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Subclass
Hydroxyflavonoids
- Level 5 6-hydroxyflavonoids
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Subclass
Hydroxyflavonoids
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Class
Flavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Flavonoids
Subclass
Hydroxyflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
6-hydroxyflavonoids
Alternative Parents
Hydroxyisoflavonoids Isoflav-3-enes Flav-3-enes Stilbenes 1-benzopyrans Phenoxy compounds Phenol ethers O-fluorophenols Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers N-alkylpyrrolidines Aryl fluorides Trialkylamines Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-hydroxyflavonoid - Hydroxyisoflavonoid - Flav-3-ene - Isoflavonoid - Isoflavonoid skeleton - Isoflav-3-ene skeleton - Stilbene - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - 2-fluorophenol - 2-halophenol - Benzonitrile - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Ether - Organoheterocyclic compound - Azacycle - Oxacycle - Organofluoride - Hydrocarbon derivative - Cyanide - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-6 position of the flavonoid skeleton.
External Descriptors
Not available