≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM.
| Pubchem Sid | 528769962 |
|---|---|
| Canonical Smiles | CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C |
| IUPAC Name | 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]furo[3,2-g]chromen-7-one |
| InChIKey | DBMJZOMNXBSRED-OQLLNIDSSA-N |
| INCHI | 1S/C21H22O4/c1-14(2)5-4-6-15(3)9-11-24-21-16-7-8-20(22)25-19(16)13-18-17(21)10-12-23-18/h5,7-10,12-13H,4,6,11H2,1-3H3/b15-9+ |
| Isomeric SMILES | CC(=CCC/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/C)C |
| Molecular Weight | 338.40 |
| Beilstein | 1353914 |
| Reaxy-Rn | 1353912 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1353912&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Prenol lipids |
| Subclass | Terpene lactones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Terpene lactones |
| Alternative Parents | Psoralens Aromatic monoterpenoids 1-benzopyrans Benzofurans Pyranones and derivatives Alkyl aryl ethers Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Terpene lactone - Linear furanocoumarin - Furanocoumarin - Psoralen - Coumarin - Benzopyran - 1-benzopyran - Monoterpenoid - Aromatic monoterpenoid - Benzofuran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as terpene lactones. These are prenol lipids containing a lactone ring. |
| External Descriptors | furanocoumarin |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2521226 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521227 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521228 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521229 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521230 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521236 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521237 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| B2521240 | Certificate of Analysis | Feb 24, 2025 | B757586 |
| Sensitivity | Light sensitive |
|---|---|
| Molecular Weight | 338.400 g/mol |
| XLogP3 | 5.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 338.152 Da |
| Monoisotopic Mass | 338.152 Da |
| Topological Polar Surface Area | 48.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 570.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
