Compound Identification
SMILES
CCCCOC1=CC=C(C=C1)C1(OC2=C(C=C1)C1=C(C3=CC(NC(=O)C4=CC=C(O)C=C4)=CC(Br)=C3C1(C)C)C1=C2C=C(C=C1)C(F)(F)F)C1=CC=C(F)C=C1
InChIKey
InChIKey=FZINWQFKIMZXOF-UHFFFAOYSA-N
Formula
C46H36BrF4NO4
Mass
822.695
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
- 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
Naphthopyrans Diphenylmethanes Fluorenes 1-benzopyrans Naphthalenes Benzamides Benzoyl derivatives Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Fluorobenzenes Pyrans Aryl bromides Aryl fluorides Secondary carboxylic acid amides Oxacyclic compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organobromides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Flav-3-ene - Naphthopyran - Diphenylmethane - Fluorene - Benzopyran - Naphthalene - 1-benzopyran - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Phenol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Alkyl halide - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Alkyl fluoride - Organonitrogen compound - Organohalogen compound - Organobromide - 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