Bakuchiol is an antioxidant inhibitor of protein tyrosine phosphatase 1B (PTP1B). It also acts as an inhibitor of mitochondrial lipid peroxidation and inducible nitric oxide synthase (iNOS; NOS II) expression. Bakuchiol is also a DNA polymerase inhibitor which shows antimicrobial and cytotoxic activity.
A PTP1B and DNA polymerase inhibitor.

仕様

同義語

仕様と純度

analytical standard

生化学的・生理学的メカニズム

Resveratrol analog . Various pharmacological activities. Anticancer, apoptotic, anti-inflammatory, antioxidant and antibacterial activity in vitro .

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

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等級

分析用標準物質

注

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.

名前と識別子

パブケム・シド

528775659

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528775659

カノニカル・スマイル

CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C

IUPAC Name

4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenol

InChIKey

LFYJSSARVMHQJB-QIXNEVBVSA-N

INCHI

1S/C18H24O/c1-5-18(4,13-6-7-15(2)3)14-12-16-8-10-17(19)11-9-16/h5,7-12,14,19H,1,6,13H2,2-4H3/b14-12+/t18-/m1/s1

異性体SMILES

CC(=CCC[C@@](C)(C=C)/C=C/C1=CC=C(C=C1)O)C

WGKドイツ

分子量

256.38

Beilstein

3611720

Reaxy-Rn

15028537

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15028537&ln=

ドキュメント

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詳細データ

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - 分類 Prenol lipids
    - Subclass Monoterpenoids

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
分類	Prenol lipids
Subclass	Monoterpenoids
Intermediate Tree Nodes	Not available
Direct Parent	Aromatic monoterpenoids
Alternative Parents	Monocyclic monoterpenoids Styrenes 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic monoterpenoid - Aromatic monoterpenoid - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
説明	This compound belongs to the class of organic compounds known as aromatic monoterpenoids. These are monoterpenoids containing at least one aromatic 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

3 D構造

関連ターゲット（人間）

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

A498 (42825 Activities)

Lot Number	Certificate Type	日付	商品
B2427349	Certificate of Analysis	Dec 12, 2025	B123652
B2427350	Certificate of Analysis	Dec 12, 2025	B123652
B2427357	Certificate of Analysis	Dec 12, 2025	B123652
B2427358	Certificate of Analysis	Nov 20, 2023	B123652
E2528130	Certificate of Analysis	Nov 20, 2023	B123652
F1512066	Certificate of Analysis	Jan 17, 2023	B123652

溶解度	Soluble in DMSO, and 100% ethanol
感度	Air sensitive
引火点（°F）	177℃
引火点（°C）	177℃
沸点（°C）	391℃
分子量	256.399 g/mol
XLogP3	6.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	256.183 Da
Monoisotopic Mass	256.183 Da
Topological Polar Surface Area	20.200 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	328.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

Bakuchiol - analytical standard , CAS No.10309-37-2

保管・配送

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概要

仕様

ドキュメント

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✅ 分析証明書（COA）

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詳細データ

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