Name: Asarone - 10mM in DMSO , CAS No.2883-98-9
Brand: Aladdin Scientific
SKU: A423012
Availability: InStock

Asarone - 10mM in DMSO , CAS No.2883-98-9

CAS: 2883-98-9 Cat. No.: A423012 Formule: C₁₂H₁₆O₃ Poids moléculaire: 208.25 Beilstein Registry Number: 1910606 Numéro CE: 220-743-6

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Asarone - 10mM in DMSO CAS No(2883-98-9) by Aladdin Scientific

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DISPONIBLE À COMMANDE

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Fiche de spécifications

Spécifications Noms et identifiants Données avancées Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques FAQ et articles Citations of This Product Calculateurs de solution Avis

Spécifications

Synonymes

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Pubchem Sid

528768806

Sourires canoniques

CC=CC1=CC(=C(C=C1OC)OC)OC

IUPAC Name

1,2,4-trimethoxy-5-[(E)-prop-1-enyl]benzene

InChIKey

RKFAZBXYICVSKP-AATRIKPKSA-N

INCHI

1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5+

Isomères SMILES

C/C=C/C1=CC(=C(C=C1OC)OC)OC

WGK Allemagne

RTECS

DC2975000

Poids moléculaire

208.25

Beilstein

1910606

Reaxy-Rn

2210026

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2210026&ln=

Données avancées

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Classe Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Classe	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors	asarone
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

Structure 3D

Cibles associées (humaines)

HMGCR Tclin 3-hydroxy-3-methylglutaryl-coenzyme A reductase (1 Activities)

Discover Target: HMGCR

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

HMGCR Tclin HMG-CoA reductase (2475 Activities)

Discover Target: HMGCR

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

Homo sapiens (32628 Activities)

Point d'ébullition (°C)	296°C
Point de fusion (°C)	57-61°C
Poids moléculaire	208.250 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	208.11 Da
Monoisotopic Mass	208.11 Da
Topological Polar Surface Area	27.700 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	203.000
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

Asarone - 10mM in DMSO , CAS No.2883-98-9

Spécifications

Données avancées

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