Introduction：Basic information about CAS 487-11-6|Elemicin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Elemicin |
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| CAS Number | 487-11-6 | Molecular Weight | 208.25400 |
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| Density | 1.011 g/cm3 | Boiling Point | 279.8ºC at 760 mmHg |
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| Molecular Formula | C12H16O3 | Melting Point | / |
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| MSDS | / | Flash Point | 92.6ºC |
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Names
| Name | 5-Allyl-1,2,3-trimethoxybenzene |
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| Synonym | More Synonyms |
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Elemicin BiologicalActivity
| Description | Elemicin is a alkenylbenzene widely distributed in many herbs and spices. Elemicin inhibits Stearoyl-CoA Desaturase 1 (SCD1) by metabolic activation. Elemicin is one of the main components in aromatic food and has antimicrobial, antioxidant, and antiviral activities. Elemicin possesses genotoxicity and carcinogenicity[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>Stearoyl-CoA Desaturase (SCD)Research Areas >>Infection |
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| Target | SCD1[1] |
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| References | [1]. Yang XN, et al. Metabolic Activation of Elemicin Leads to the Inhibition of Stearoyl-CoA Desaturase 1. Chem Res Toxicol. 2019 Sep 10. |
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Chemical & Physical Properties
| Density | 1.011 g/cm3 |
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| Boiling Point | 279.8ºC at 760 mmHg |
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| Molecular Formula | C12H16O3 |
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| Molecular Weight | 208.25400 |
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| Flash Point | 92.6ºC |
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| Exact Mass | 208.11000 |
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| PSA | 27.69000 |
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| LogP | 2.44090 |
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| Vapour Pressure | 0.00666mmHg at 25°C |
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| Index of Refraction | 1.496 |
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| InChIKey | BPLQKQKXWHCZSS-UHFFFAOYSA-N |
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| SMILES | C=CCc1cc(OC)c(OC)c(OC)c1 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- CY2801000
- CHEMICAL NAME :
- Benzene, 5-allyl-1,2,3-trimethoxy-
- CAS REGISTRY NUMBER :
- 487-11-6
- BEILSTEIN REFERENCE NO. :
- 1912664
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H16-O3
- MOLECULAR WEIGHT :
- 208.28
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TEST SYSTEM :
- Rodent - mouse
- DOSE/DURATION :
- 400 mg/kg
- REFERENCE :
- CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,1613,1984
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Safety Information
Synonyms
| 1,2,3-trimethoxy-5-prop-2-enylbenzene |
