4-Methoxy-trans-stilbene - ≥98% , CAS No.1694-19-5

CAS: 1694-19-5 Cat. No.: M404682 分子式: C₁₅H₁₄O 分子量: 210.28 EC番号: 622-359-8

GRADE & PURITY ≥98%

Synonyms

PS-8014 | SCHEMBL699621 | ?4-METHOXYSTILBENE | 1-Phenyl-2-(4-methoxy-phenyl)-A currencythylen | M2964 | 1-(P-METHOXY)PHENYL-2-PHENYLETHYLENE | P-METHOXYSTILBENE | (E)-4-Methoxystilbene | 4-Methoxystilbene | InChI=1/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13

Storage

Room temperature

概要

Maximum Absorption Wavelength:318(EtOH)nm

Specifications

同義語

PS-8014 | SCHEMBL699621 | ?4-METHOXYSTILBENE | 1-Phenyl-2-(4-methoxy-phenyl)-A currencythylen | M2964 | 1-(P-METHOXY)PHENYL-2-PHENYLETHYLENE | P-METHOXYSTILBENE | (E)-4-Methoxystilbene | 4-Methoxystilbene | InChI=1/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13

仕様と純度

≥98%

保管条件

Room temperature

純度

≥98%

名前と識別子

• パブケム・シド: 504760433
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504760433
• カノニカル・スマイル: COC1=CC=C(C=C1)C=CC2=CC=CC=C2
• IUPAC Name: 1-methoxy-4-[(E)-2-phenylethenyl]benzene
• InChIKey: XWYXLYCDZKRCAD-BQYQJAHWSA-N
• INCHI: 1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
• 異性体SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
• 代替CAS番号: 1142-15-0
• 分子量: 210.28
• Reaxy-Rn: 2048013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048013&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Diphenyl ethers, biphenyls, dibenzyls and stilbenes

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.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

HT-29 (80576 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 沸点（°C）: 126 °C/0.01 mmHg
• 融点（°C）: 136 °C
• 分子量: 210.270 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 207.000
• 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