CAS Number145414-76-2
Synonyms6',7'-Dihydroxy Bergamottin; 5-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-2,3-dihydroxy-7H-furo[3,2-g]chromen-7-one
Molecular FormulaC21H22O6
Molecular Weight370.396
Density1.3±0.1 g/cm3
Boiling Point611.3±55.0 °C at 760 mmHg
Melting Point112-113 °C
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 145414-76-2 |
| Catalog No. | 2A-2188272 |
| Chinese Name | 二羟基香柠檬素 |
| Synonyms | 6',7'-Dihydroxy Bergamottin; 5-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-2,3-dihydroxy-7H-furo[3,2-g]chromen-7-one |
| Molecular Formula | C21H22O6 |
| Molecular Weight | 370.396 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 611.3±55.0 °C at 760 mmHg |
| Melting Point | 112-113 °C |
| Storage Condition | 2-8°C, sealed, dry |
| Application | 6',7'-Dihydroxybergamomottin (6',7'-DHB) is a furanocoumarin that inhibits CYP3A4 and is present in grapefruit juice and Seville orange juice. |
| PubChem ID | 11968567 |
| SMILES | CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CCC(O)C(C)(C)O |
| InChI | InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8+ |
| InChI Key | IXZUPBUEKFXTSD-MDWZMJQESA-N |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | transportation |
| Bioactivity | 6',7'-Dihydroxybergamottin (6′,7′-DHB) is a furanocoumarin that inhibits CYP3A4 and is found in grapefruit juice and Seville orange juice[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Target CYP3A4 References [1]. D J Edwards, et al. 6',7'-Dihydroxybergamottin in grapefruit juice and Seville orange juice: effects on cyclosporine disposition, enterocyte CYP3A4, and P-glycoprotein. Clin Pharmacol Ther. 1999 Mar;65(3):237-44. Chemical & Physical Properties Density 1.3±0.1 g/cm3 Boiling Point 611.3±55.0 °C at 760 mmHg Melting Point 112-113 °C Molecular Formula C21H22O6 Molecular Weight 370.396 Flash Point 323.5±31.5 °C Exact Mass 370.141632 PSA 93.04000 LogP 5.57 Vapour Pressure 0.0±1.8 mmHg at 25°C Index of Refraction 1.633 InChIKey IXZUPBUEKFXTSD-MDWZMJQESA-N SMILES CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CCC(O)C(C)(C)O |
| Use of | 6',7'-Dihydroxybergamottin (6′,7′-DHB) is a furanocoumarin that inhibits CYP3A4 and is found in grapefruit juice and Seville orange juice[1]. Properties Name 6´,-7´-Dihydroxybergamottin Synonym More Synonyms 6',7'-DIHYDROXYBERGAMOTTIN Biological Activity Description 6',7'-Dihydroxybergamottin (6′,7′-DHB) is a furanocoumarin that inhibits CYP3A4 and is found in grapefruit juice and Seville orange juice[1]. Related Catalog Research Areas >> Cardiovascular Disease Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 References [1]. D J Edwards, et al. 6',7'-Dihydroxybergamottin in grapefruit juice and Seville orange juice: effects on cyclosporine disposition, enterocyte CYP3A4, and P-glycoprotein. Clin Pharmacol Ther. 1999 Mar;65(3):237-44. Chemical & Physical Properties Molecular Formula C21H22O6 Exact Mass 370.141632 PSA 93.04000 Index of Refraction 1.633 InChIKey IXZUPBUEKFXTSD-MDWZMJQESA-N |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
| Related Products in Specialty Chemicals | ||
|---|---|---|
| ROHITUKINE | 71294-60-5 | 2A-1188251 |
| Elaiophylin | 37318-06-2 | 2A-1188252 |
| ABSINTHIN | 1362-42-1 | 2A-1188253 |
| 2H-Indol-2-one, 5,6-dichloro-3-[1,3-dihydro-3-(methoxyimino)-2H-indol-2-ylidene]-1,3-dihydro- | 2226664-93-1 | 2A-2188269 |
| 5-amino-1-methylquinolin-1-ium iodide | 42464-96-0 | 2A-2188270 |
| dendrobine | 2115-91-5 | 2A-2188274 |
| Agrimoniin | 82203-01-8 | 2A-2188276 |
| Mogroside II A1 | 88901-44-4 | 2A-2188277 |
| Ensifentrine | 1884461-72-6 | 2A-4188278 |
| NSI-189 | 1270138-41-4 | 2A-2188279 |
| Browse all Specialty Chemicals products » | ||
Phone:
630-322-8886
630-322-8887
Email:
Office Locations:
Chicago, IL, USA
San Francisco, CA, USA
EN
SDS