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Comprovação documental

Citado em 5 publicações revisadas por pares nas áreas de cromatografia, síntese orgânica e reações de acoplamento cruzado.

Especificações

Sinónimos

Especificações e pureza

≥99%(GC)

Aplicação

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

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥99%(GC)

Nomes e identificadores

Pubchem Sid

488179779

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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

WGK Alemanha

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=

Documentação

📋 Ficha de dados de segurança (FDS)

Documento abrangente sobre perigos, manuseamento, armazenamento e conformidade regulamentar.

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

✅ Certificado de análise (COA)

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📊 Ficha técnica

Resumo de referência rápida das especificações e aplicações do produto.

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🔬 Folha de especificações

Atributos de qualidade completos e critérios de aceitação para este grau.

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Dados avançados

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Hydrocarbon derivatives
Classe	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
Descrição	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

Estrutura 3D

Alvos associados (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	Data	Item
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

Solubilidade	Solubility in water: Practically insoluble; Soluble in Ether,Alcohol
Ponto de ebulição (°C)	138 °C/10 mmHg
Ponto de fusão (°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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