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Prueba documental

Citado en 5 publicaciones revisadas por pares sobre cromatografía, síntesis orgánica y reacciones de acoplamiento cruzado.

Especificaciones

Sinónimos

Especificaciones y pureza

≥99%(GC)

Aplicación

Preparation and characterization of composite films—comprising sodium alginate, blueberry anthocyanins, and ZIF-8 nanoparticles loaded with thujaplicin—for monitoring pork freshness.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(GC)

Nombres e identificadores

Pubchem Sid

488179779

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488179779

Sonrisas canónicas

CC(C)C1=CC(=O)C(=CC=C1)O

IUPAC Name

2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one

InChIKey

FUWUEFKEXZQKKA-UHFFFAOYSA-N

INCHI

1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)

Isómeros SMILES

CC(C)C1=CC(=O)C(=CC=C1)O

WGK Alemania

RTECS

GU4200000

Peso molecular

164.2

Reaxy-Rn

1864537

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1864537&ln=

Documentación

📋 Hoja de datos de seguridad (SDS)

Documento completo sobre peligros, manipulación, almacenamiento y cumplimiento normativo.

<<<<<<< HEAD Descargar SDS → ======= Descargar SDS → >>>>>>> release248-p3

✅ Certificado de análisis (COA)

Datos de calidad específicos del lote. Introduzca su número de lote para obtener el COA exacto.

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📊 Ficha técnica

Resumen de referencia rápida de las especificaciones y aplicaciones del producto.

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🔬 Hoja de especificaciones

Atributos de calidad completos y criterios de aceptación para esta calidad.

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Datos avanzados

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbon derivatives
  - Clase Tropones
    - Subclass Tropolones

Kingdom	Organic compounds
Superclass	Hydrocarbon derivatives
Clase	Tropones
Subclass	Tropolones
Intermediate Tree Nodes	Not available
Direct Parent	Tropolones
Alternative Parents	Cyclic ketones Organic oxides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tropolone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound
Descripción	This compound belongs to the class of organic compounds known as tropolones. These are compounds containing tropone ring with a hydroxyl group at ring position 2.
External Descriptors	Cyclic monoterpenes
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. DOI: 10.1186/s13321-016-0174-y

Estructura 3D

Objetivos asociados (humanos)

HDAC2 Tclin Histone deacetylase 2 (1 Activities)

Discover Target: HDAC2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

HDAC8 Tclin Histone deacetylase 8 (1 Activities)

Discover Target: HDAC8

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CPA1 Tchem Carboxypeptidase A1 (146 Activities)

Discover Target: CPA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC8 Tclin Histone deacetylase 8 (4516 Activities)

Discover Target: HDAC8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

Discover Target: ALOX15B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HDAC4 Tclin Histone deacetylase 4 (2328 Activities)

Discover Target: HDAC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Fecha	Articulo
A2608247	Certificate of Analysis	Dec 25, 2025	H156866
A2608312	Certificate of Analysis	Dec 25, 2025	H156866
A2608314	Certificate of Analysis	Dec 25, 2025	H156866
A2608315	Certificate of Analysis	Dec 25, 2025	H156866
J2626046	Certificate of Analysis	Dec 25, 2025	H156866
G2613045	Certificate of Analysis	Dec 25, 2025	H156866
A2218110	Certificate of Analysis	Oct 29, 2025	H156866
L2411674	Certificate of Analysis	Nov 28, 2024	H156866
L2411673	Certificate of Analysis	Nov 28, 2024	H156866
L2411672	Certificate of Analysis	Nov 28, 2024	H156866
L2411671	Certificate of Analysis	Nov 28, 2024	H156866
C1912154	Certificate of Analysis	Jan 04, 2023	H156866
B2309958	Certificate of Analysis	Dec 12, 2022	H156866
J2416220	Certificate of Analysis	Dec 12, 2022	H156866
B2309980	Certificate of Analysis	Dec 12, 2022	H156866
B2309969	Certificate of Analysis	Dec 12, 2022	H156866
B2309962	Certificate of Analysis	Dec 12, 2022	H156866
B2309933	Certificate of Analysis	Dec 12, 2022	H156866
B2309926	Certificate of Analysis	Dec 12, 2022	H156866
B2309720	Certificate of Analysis	Dec 12, 2022	H156866
B2309689	Certificate of Analysis	Dec 12, 2022	H156866
A2426081	Certificate of Analysis	Dec 12, 2022	H156866
D23142435	Certificate of Analysis	Dec 20, 2021	H156866
A2218450	Certificate of Analysis	Dec 20, 2021	H156866
A2218122	Certificate of Analysis	Dec 20, 2021	H156866
A2218116	Certificate of Analysis	Dec 20, 2021	H156866

Solubilidad	Solubility in water: Practically insoluble; Soluble in Ether,Alcohol
Punto de ebullición (°C)	138 °C/10 mmHg
Punto de fusión (°C)	53 °C
Peso molecular	164.200 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	164.084 Da
Monoisotopic Mass	164.084 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	280.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Hinokitiol - ≥99%(GC) , CAS No.499-44-5

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