4-[(E)-2-(4-Aminophenyl)ethenyl]phenol , CAS No.836-44-2

CAS: 836-44-2 Cat. No.: E668929 分子式: C₁₄H₁₃NO 分子量: 211.26 PubChem CID: 5375988

Synonyms

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol | 4-(4-Aminostyryl)phenol | 4'-AMINO-4-HYDROXYSTILBENE | 4-AMINO-4'-HYDROXY STILBENE | 4-Amino-4'-hydroxystilbene | (E)-4'-Amino-4-stilbenol | 4-Stilbenol, 4'-amino-, (E)- | Stilbene derivative, 1 | 4-[(1E)-2-(4-Amin

Storage

Room temperature

Specifications

同義語

4-[(E)-2-(4-Aminophenyl)ethenyl]phenol | 4-(4-Aminostyryl)phenol | 4'-AMINO-4-HYDROXYSTILBENE | 4-AMINO-4'-HYDROXY STILBENE | 4-Amino-4'-hydroxystilbene | (E)-4'-Amino-4-stilbenol | 4-Stilbenol, 4'-amino-, (E)- | Stilbene derivative, 1 | 4-[(1E)-2-(4-Amin

保管条件

Room temperature

製品の性質

• ALogP: 3.2

名前と識別子

• カノニカル・スマイル: C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)N
• IUPAC Name: 4-[(E)-2-(4-aminophenyl)ethenyl]phenol
• InChIKey: HGDVTCNLNRCTHW-OWOJBTEDSA-N
• INCHI: 1S/C14H13NO/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(16)10-6-12/h1-10,16H,15H2/b2-1+
• 異性体SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)N
• PubChem CID: 5375988
• 分子量: 211.26

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 Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Styrene - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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: Not available

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）

APP Tclin Amyloid-beta A4 protein (1 Activities)

Discover Target: APP

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

BXPC-3 (2997 Activities)

Explore this target

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

MCF7 (126967 Activities)

Explore this target

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

HEK293 (82097 Activities)

Explore this target

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

ASPC1 (1310 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

• 分子量: 211.260 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 211.1 Da
• Monoisotopic Mass: 211.1 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 223.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 836-44-2, the molecular formula is C14H13NO, and the molecular weight is 211.26 g/mol. InChIKey HGDVTCNLNRCTHW-OWOJBTEDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.