Verbascoside - Moligand™, 10mM in DMSO , Channel blocker of TRPV3, CAS No.61276-17-3, Channel blocker of TRPV3

CAS: 61276-17-3 Cat. No.: V425072 分子式: C₂₉H₃₆O₁₅ 分子量: 624.59 EC番号: 612-110-1 PubChem CID: 5281800

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

Acteoside|Verbascoside|Kusaginin|61276-17-3|TJC 160|acetoside|Verbacoside|NSC 603831|TJC-160|UNII-3TGX09BD5B|3TGX09BD5B|RUSSETINOL|STEREOSPERMIN|CHEBI:132853|NSC-603831|VERBASCOSIDE (USP-RS)|VERBASCOSIDE [USP-RS]|(2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethox

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Antioxidant and antiproliferative. Phenylethanoid glycoside.

Specifications

同義語

Acteoside | Verbascoside | Kusaginin | 61276-17-3 | TJC 160 | acetoside | Verbacoside | NSC 603831 | TJC-160 | UNII-3TGX09BD5B | 3TGX09BD5B | RUSSETINOL | STEREOSPERMIN | CHEBI:132853 | NSC-603831 | VERBASCOSIDE (USP-RS) | VERBASCOSIDE [USP-RS] | (2R,3R,4R,5R,6R)-6-(3,4-Dihydroxyphenethox

仕様と純度

Moligand™, 10mM in DMSO

生化学的・生理学的メカニズム

PKC inhibitor. NF-κB inhibitor. Increases PARP-1 and p53. Induces cell cycle arrest and differentiation. Inhibits MMP (IC 50 = 32 μM). Shows anti-inflammatory, antinociceptive and antioxidant effects in vivo. Orally active.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

CHANNEL BLOCKER

作用メカニズム

Channel blocker of TRPV3

名前と識別子

パブケム・シド

528772365

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528772365

カノニカル・スマイル

CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O

IUPAC Name

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

InChIKey

FBSKJMQYURKNSU-ZLSOWSIRSA-N

INCHI

1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1

異性体SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O

WGKドイツ

2

RTECS

LZ5786000

PubChem CID

5281800

分子量

624.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid esters O-glycosyl compounds Disaccharides Tyrosols and derivatives Styrenes Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fatty acid esters Oxanes Enoate esters Secondary alcohols Polyols Acetals Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Coumaric acid or derivatives - Cinnamic acid ester - Disaccharide - Glycosyl compound - O-glycosyl compound - Tyrosol derivative - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Monocyclic benzene moiety - Fatty acyl - Oxane - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Secondary alcohol - Carboxylic acid ester - Polyol - Acetal - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• External Descriptors: hydroxycinnamic acid

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）

TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (0 Activities)

Discover Target: TRPV3

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

化学的性質と物理的性質

• 感度: Hygroscopic,Heat Sensitive
• 比旋光度［α］: -92° (C=0.1,MeOH)
• 分子量: 624.600 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 11
• Exact Mass: 624.205 Da
• Monoisotopic Mass: 624.205 Da
• Topological Polar Surface Area: 245.000 Ų
• Heavy Atom Count: 44
• Formal Charge: 0
• Complexity: 936.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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