Gastrodin - analytical standard,Moligand™,≥98% , CAS No.62499-27-8

CAS: 62499-27-8 Cat. No.: G111309 Summenformel: C₁₃H₁₈O₇ Molekulargewicht: 286.28 EG-Nummer: 683-202-7

GRADE & PURITY Analytical standard, Moligand™, ≥98%

Synonyms

NCGC00346601-02_C13H18O7_beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl | SCHEMBL1076037 | LOPINAVIR [WHO-IP] | AKOS015951256 | BDBM50177403 | Gastrodin, from Gastrodia alata, >=98% | AC-8028 | Gastrodin (Gastrodine) | A833810 | (-)-GASTRODIN | BCP900071

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Gastrodin, a phenolic glucoside, is the main active ingredient of the traditional Chinese medicinal compound Tianma. Gastrodin is an active component of Gastrodia elata Blume, a herb belonging to the Orchidaceae family.

Specifications

Synonyme

NCGC00346601-02_C13H18O7_beta-D-Glucopyranoside, 4-(hydroxymethyl)phenyl | SCHEMBL1076037 | LOPINAVIR [WHO-IP] | AKOS015951256 | BDBM50177403 | Gastrodin, from Gastrodia alata, >=98% | AC-8028 | Gastrodin (Gastrodine) | A833810 | (-)-GASTRODIN | BCP900071

Spezifikationen & Reinheit

analytical standard,Moligand™,≥98%

Biochemische und physiologische Mechanismen

Gastrodin can penetrate through the blood-brain barrier and has been suggested to have neuroprotective effects against hypoxia. It is also known to reduce the immunoreactivity of gamma-aminobutyric acid shunt enzymes in hippocampal tissues. Traditionally,

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard, Moligand™

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508813205

Kanonisches Lächeln

C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O

IUPAC Name

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol

InChIKey

PUQSUZTXKPLAPR-UJPOAAIJSA-N

INCHI

1S/C13H18O7/c14-5-7-1-3-8(4-2-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1

Isomere SMILES

C1=CC(=CC=C1CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Molekulargewicht

286.28

Reaxy-Rn

25441801

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25441801&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Glycosyl compounds
          • Ebene6 Phenolic glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: Phenolic glycosides
• Alternative Parents: O-glycosyl compounds Phenoxy compounds Phenol ethers Benzyl alcohols Oxanes Monosaccharides Secondary alcohols Polyols Oxacyclic compounds Acetals Primary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenolic glycoside - O-glycosyl compound - Phenoxy compound - Benzyl alcohol - Phenol ether - Monocyclic benzene moiety - Monosaccharide - Oxane - Benzenoid - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Acetal - Alcohol - Hydrocarbon derivative - Primary alcohol - Aromatic alcohol - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
• External Descriptors: glycoside

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

Zugehörige Ziele (menschlich)

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Discover Target: ABAT

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

ALDH5A1 Tclin Succinate semialdehyde dehydrogenase (19 Activities)

Discover Target: ALDH5A1

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive
• Spezifische Drehung [α]: -66.0 to -70.0 deg(C=1,H2O)
• Schmelzpunkt (°C): 154-155°C
• Molekulargewicht: 286.280 g/mol
• XLogP3: -0.800
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 286.105 Da
• Monoisotopic Mass: 286.105 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 292.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1