Absinthin - Moligand™, ≥96% , Agonist of TAS2R30;Agonist of TAS2R46, CAS No.1362-42-1, Agonist of TAS2R30;Agonist of TAS2R46

CAS: 1362-42-1 Cat. No.: A412888 Summenformel: C₃₀H₄₀O₆ Molekulargewicht: 496.64

QUALITÄT & REINHEIT Moligand™, ≥96%

Synonyms

Absinthin|(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.0(1,16).0(2,14).0(4,13).0(5,9).0(20,24)]hexacosa-3,25-diene-7,22-dione|ABSINTHIN [MI]|CHIEF BITTER PRINCIPLE OF ARTEMISIA ABSINTHIUM|(+)-absinthin|Absynthin|Absinthiin

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Übersicht

Information

Absinthin Absinthin (Absynthine) is a naturally produced triterpene lactone from Artemisia absinthium with anti-inflammatory properties. Absinthin significantly enhances the expression of matrix metalloproteinase-8 (MMP-8) and is a possible treatment candidate for Acute lung injury (ALI).

Targets

MMP-8

Spezifikationen

Synonyme

Absinthin | (1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.0(1,16).0(2,14).0(4,13).0(5,9).0(20,24)]hexacosa-3,25-diene-7,22-dione | ABSINTHIN [MI] | CHIEF BITTER PRINCIPLE OF ARTEMISIA ABSINTHIUM | (+)-absinthin | Absynthin | Absinthiin

Spezifikationen & Reinheit

Moligand™, ≥96%

Biochemische und physiologische Mechanismen

Absinthin (Absynthine) is a naturally produced triterpene lactone from Artemisia absinthium with anti-inflammatory properties. Absinthin significantly enhances the expression of matrix metalloproteinase-8 (MMP-8) and is a possible treatment candidate for

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of TAS2R30;Agonist of TAS2R46

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504758779

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758779

Kanonisches Lächeln

CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O

IUPAC Name

(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.01,16.02,14.04,13.05,9.020,24]hexacosa-3,25-diene-7,22-dione

InChIKey

PZHWYURJZAPXAN-ILOFNVQHSA-N

INCHI

1S/C30H40O6/c1-12-11-18-20-21(30(12)24(18)29(6,34)10-8-17-14(3)27(32)36-25(17)30)15(4)19-22(20)28(5,33)9-7-16-13(2)26(31)35-23(16)19/h11,13-14,16-18,20-25,33-34H,7-10H2,1-6H3/t13-,14-,16-,17-,18+,20-,21-,22-,23-,24-,25-,28-,29-,30+/m0/s1

Isomere SMILES

C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C=C([C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O

Alternative CAS-Nummer

1362-42-1

MeSH-Eintrag

absynthin

Molekulargewicht

496.64

Reaxy-Rn

25112677

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25112677&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Sesterterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Sesterterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesterterpenoids
• Alternative Parents: Gamma butyrolactones Dicarboxylic acids and derivatives Tetrahydrofurans Tertiary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Sesterterpenoid - Dicarboxylic acid or derivatives - Gamma butyrolactone - Cyclic alcohol - Tetrahydrofuran - Tertiary alcohol - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organooxygen compound - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as sesterterpenoids. These are terpenes composed of five consecutive isoprene units.
• External Descriptors: Guaianolide

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)

TAS2R46 Tchem Taste receptor type 2 member 46 (0 Activities)

Discover Target: TAS2R46

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

TAS2R30 Tchem Taste receptor type 2 member 30 (0 Activities)

Discover Target: TAS2R30

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

BEAS-2B (690 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 10 mg/mL (20.13 mM)
• Molekulargewicht: 496.600 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 496.282 Da
• Monoisotopic Mass: 496.282 Da
• Topological Polar Surface Area: 93.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 1140.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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