Compound Identification
SMILES
COC1=C(\C(NB(F)F)=C\C(=O)C2=CC=C(OCCCCCC[NH2+]CC3=CC(C)=CC(C)=C3)C=C2)C2=CC=CC=C2C=C1
InChIKey
InChIKey=LCQYHTVVVRUQNO-SJIPCVTESA-O
Formula
C35H40BF2N2O3
Mass
585.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Linear 1,3-diarylpropanoids
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Subclass
Chalcones and dihydrochalcones
- Level 5 Retrochalcones
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Subclass
Chalcones and dihydrochalcones
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Class
Linear 1,3-diarylpropanoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Chalcones and dihydrochalcones
Intermediate Tree Nodes
Not available
Direct Parent
Retrochalcones
Alternative Parents
Cinnamic acids and derivatives Naphthalenes Anisoles Aryl ketones Benzoyl derivatives Benzylamines m-Xylenes Phenoxy compounds Phenylmethylamines Styrenes Aralkylamines Alkyl aryl ethers Enones Vinylogous amides Acryloyl compounds Quaternary ammonium salts Dialkylamines Organic metalloid salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Retrochalcone - Cinnamic acid or derivatives - Naphthalene - Phenylmethylamine - Phenoxy compound - Anisole - Styrene - M-xylene - Xylene - Benzoyl - Benzylamine - Aryl ketone - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Vinylogous amide - Enone - Alpha,beta-unsaturated ketone - Quaternary ammonium salt - Ketone - Ether - Secondary aliphatic amine - Organic metalloid salt - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic cation - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
External Descriptors
Not available