Absinthin - Moligand™, 10mM in DMSO , Agonist of TAS2R30;Agonist of TAS2R46, CAS No.1362-42-1, Agonist of TAS2R30;Agonist of TAS2R46

CAS: 1362-42-1 Cat. No.: A421378 Molecular Weight: 496.64

GRADE & PURITY Moligand™, 10mM in DMSO

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] | UNII-OE5992O64P | GTPL12458 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

Specifications

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] | UNII-OE5992O64P | GTPL12458 |

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

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 -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TAS2R30;Agonist of TAS2R46

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Alternate CAS: 1362-42-1
• MeSH Entry Terms: absynthin
• Molecular Weight: 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
    • Class Prenol lipids
      • Subclass Sesterterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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