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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque 2,2',4'-Trihydroxychalcone , CAS No.26962-50-5
Disponível para encomenda
Synonyms
2,2',4'-Trihydroxychalcone | (E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one | 1-(2,4-Dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one | 2',4',2-Trihydroxychalcone | 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)- | NSC63679
Especificações Sinónimos
2,2',4'-Trihydroxychalcone | (E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one | 1-(2,4-Dihydroxyphenyl)-3-(2-hydroxyphenyl)-2-propen-1-one | 2',4',2-Trihydroxychalcone | 2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)- | NSC63679
Condições de armazenamento de armazenamento
Room temperature
Propriedades do produto Nomes e identificadores Sorrisos canónicos
C1=CC=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)O
IUPAC Name
(E)-1-(2,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
InChIKey
MACMAADVRVVHBD-VMPITWQZSA-N
INCHI
1S/C15H12O4/c16-11-6-7-12(15(19)9-11)14(18)8-5-10-3-1-2-4-13(10)17/h1-9,16-17,19H/b8-5+
SMILES isoméricas
C1=CC=C(C(=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1884471&ln=
Dados avançados Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Classe Linear 1,3-diarylpropanoids Subclass Chalcones and dihydrochalcones Intermediate Tree Nodes Not available Direct Parent 2'-Hydroxychalcones Alternative Parents Cinnamylphenols Hydroxycinnamic acids and derivatives Styrenes Resorcinols Benzoyl derivatives Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents 2'-hydroxychalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Benzoyl - Resorcinol - Styrene - Aryl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound Descrição This compound belongs to the class of organic compounds known as 2'-hydroxychalcones. These are organic compounds containing chalcone skeleton that carries a hydroxyl group at the 2'-position. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Peso molecular 256.250 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 256.074 Da Monoisotopic Mass 256.074 Da Topological Polar Surface Area 77.800 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 339.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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