Auraptene - ≥95% , CAS No.495-02-3

Name: Auraptene - ≥95% , CAS No.495-02-3
Brand: Aladdin Scientific
SKU: A135842
Availability: InStock

CAS: 495-02-3 Cat. No.: A135842 Fórmula: C₁₉H₂₂O₃ Peso molecular: 298.38

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Auraptene - ≥95% CAS No(495-02-3) by Aladdin Scientific

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Disponível para encomenda

GRAU & PUREZA ≥95%

Synonyms

UPCMLD-DP061:001|Auraptene|7-(3,7-Dimethyl-octa-2,6-dienyloxy)-chromen-2-one|(E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-2H-chromen-2-one|7-([(2E)-3,7-Dimethyl-2,6-octadienyl]oxy)-2H-chromen-2-one|Coumarin, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-|Feronialactone|7-(geranyloxy)coumarin|7-(3,7-dimethylocta-2,6-dienoxy)-1-benzopyran-2-one|2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-|NP344|7-O-geranylumbelliferone|7-{[(2E)-3,7-dimethyl-2,6-octadienyl]oxy}-2H-chromen-2-one|7-Geranyloxycoumarin|7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-1-benzopyran-2-one|7-(3,7-Dimethyl-2,6-octadienyl)oxy-2H-1-benzopyran-2-one, 9CI|2H-1-Benzopyran-2-one, 7-[(3,7-dimethyl-2,6-octadienyl)oxy]-, (E)-|7-[(3,7-Dimethyl-2,6-octadienyl)oxy]-(E)-Coumarin|7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one|Aurapten|2H-1-BENZOPYRAN-2-ONE, 7-(((2E)-3,7-DIMETHYL-2,6-OCTADIEN-1-YL)OXY)-|(E)-7-(3,7-dimethylocta-2,6-dienyloxy)-2H-chromen-2-one|7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-chromen-2-one

Storage

Room temperature

Shipped In

Normal

Folha de especificações

Especificações Nomes e identificadores Dados avançados Taxonomic Classification 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 FAQs e artigos Calculadoras de soluções Revisões

Especificações

Sinónimos

Especificações e pureza

≥95%

Mecanismos bioquímicos e fisiológicos

Activates PPARα and PPARγ. Inhibits acyl-CoA:cholesterol acyl transferase (ACAT). Modulates estrogen receptors and disrupts ERK1/2-mediated phosphorylation of 4EBP1 and eIF4B. Chemopreventive properties. Active in vivo and in vitro .

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

508813749

Sorrisos canónicos

CC(=CCCC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C)C

IUPAC Name

7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one

InChIKey

RSDDHGSKLOSQFK-RVDMUPIBSA-N

INCHI

1S/C19H22O3/c1-14(2)5-4-6-15(3)11-12-21-17-9-7-16-8-10-19(20)22-18(16)13-17/h5,7-11,13H,4,6,12H2,1-3H3/b15-11+

SMILES isoméricas

CC(=CCC/C(=C/COC1=CC2=C(C=C1)C=CC(=O)O2)/C)C

WGK Alemanha

RTECS

MD6500000

Peso molecular

298.38

Reaxy-Rn

28454

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28454&ln=

Dados avançados

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Classe Prenol lipids
    - Subclass Terpene lactones

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Classe	Prenol lipids
Subclass	Terpene lactones
Intermediate Tree Nodes	Not available
Direct Parent	Terpene lactones
Alternative Parents	Coumarins and derivatives Bicyclic monoterpenoids Aromatic monoterpenoids 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Terpene lactone - Coumarin - Aromatic monoterpenoid - Benzopyran - Bicyclic monoterpenoid - Monoterpenoid - 1-benzopyran - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Descrição	This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring.
External Descriptors	Not available
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)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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

ESR2 Tclin Estrogen receptor beta (9272 Activities)

Discover Target: ESR2

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

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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

AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

MTNR1A Tclin Melatonin receptor 1A (2519 Activities)

Discover Target: MTNR1A

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

NR1H4 Tclin Bile acid receptor FXR (6228 Activities)

Discover Target: NR1H4

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

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

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

BACE1 Tchem Beta-secretase 1 (15641 Activities)

Discover Target: BACE1

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

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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

HT-29 (80576 Activities)

Sensibilidade	Heat Sensitive
Ponto de fusão (°C)	66°C
Peso molecular	298.400 g/mol
XLogP3	5.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	298.157 Da
Monoisotopic Mass	298.157 Da
Topological Polar Surface Area	35.500 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	469.000
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

Auraptene - ≥95% , CAS No.495-02-3

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