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Basic Description
| 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™, ≥96% |
| 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 Temp | Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads 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 |
| Product Description |
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 |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Prenol lipids
- Subclass Sesterterpenoids
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Class
Prenol lipids
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Superclass
Lipids and lipid-like molecules
| 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 |
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Associated Targets(Human)
TAS2R46
Tchem
Taste receptor type 2 member 46 (0 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
TAS2R30
Tchem
Taste receptor type 2 member 30 (0 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
BEAS-2B (690 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 504758779 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504758779 |
| 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 |
| INCHI | 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 |
| InChIKey | PZHWYURJZAPXAN-ILOFNVQHSA-N |
| Smiles | CC1C2CCC(C3C4C5C=C(C6(C4C(=C3C2OC1=O)C)C5C(CCC7C6OC(=O)C7C)(C)O)C)(C)O |
| 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2303173 |
Certificate of Analysis | Jul 07, 2023 | A412888 |
| H2303175 |
Certificate of Analysis | Jul 07, 2023 | A412888 |
| H2303153 |
Certificate of Analysis | Jul 07, 2023 | A412888 |
| H2303164 |
Certificate of Analysis | Jul 07, 2023 | A412888 |
Chemical and Physical Properties
| Solubility | Solubility (25°C) In vitro DMSO: 10 mg/mL (20.13 mM); |
|---|---|
| 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 |
Solution Calculators
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