Introduction：Basic information about CAS 13849-08-6|marmesin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | marmesin |
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| CAS Number | 13849-08-6 | Molecular Weight | 246.259 |
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| Density | 1.3±0.1 g/cm3 | Boiling Point | 434.0±45.0 °C at 760 mmHg |
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| Molecular Formula | C14H14O4 | Melting Point | 189-191℃ |
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| MSDS | / | Flash Point | 168.0±22.2 °C |
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Names
| Name | (+)-marmesin |
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| Synonym | More Synonyms |
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marmesin BiologicalActivity
| Description | S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. |
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| Related Catalog | Signaling Pathways >>Metabolic Enzyme/Protease >>5-LipoxygenaseResearch Areas >>OthersNatural Products >>Phenylpropanoids |
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| Target | COX-2 5-Lipoxygenase |
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| In Vitro | S-(+)-Marmesin ((+)-marmesin) shows affinity at the recombinant psoralen synthase, with a Km of 1.5 ± 0.5 μM, exceeding the substrate affinities of other enzymes of the CYP71 subfamily involved in plant secondary metabolism[1]. S-(+)-Marmesin ((+)-marmesin) shows COX-2/5-LOX dual inhibitory activity[2]. |
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| References | [1]. Larbat R, et al. Molecular cloning and functional characterization of psoralen synthase, the first committed monooxygenase of furanocoumarin biosynthesis. J Biol Chem. 2007 Jan 5;282(1):542-54. Epub 2006 Oct 26. [2]. Kim JS, et al. Chemical constituents of the root of Dystaenia takeshimana and their anti-inflammatory activity. Arch Pharm Res. 2006 Aug;29(8):617-23. |
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Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
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| Boiling Point | 434.0±45.0 °C at 760 mmHg |
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| Melting Point | 189-191℃ |
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| Molecular Formula | C14H14O4 |
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| Molecular Weight | 246.259 |
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| Flash Point | 168.0±22.2 °C |
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| Exact Mass | 246.089203 |
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| PSA | 59.67000 |
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| LogP | 1.69 |
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| Vapour Pressure | 0.0±1.1 mmHg at 25°C |
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| Index of Refraction | 1.611 |
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| InChIKey | FWYSBEAFFPBAQU-LBPRGKRZSA-N |
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| SMILES | CC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1 |
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| Storage condition | -20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- LV1045500
- CHEMICAL NAME :
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-, (S)-(+)-
- CAS REGISTRY NUMBER :
- 13849-08-6
- LAST UPDATED :
- 199410
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H14-O4
- MOLECULAR WEIGHT :
- 246.28
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 1040 ng/plate
- REFERENCE :
- JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 13,521,1984
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Synonyms
| 2-(2-Hydroxy-2-propanyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
| 2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one |
| (7S)-marmesin |
| marmesin |
| 2-(2-hydroxypropan-2-yl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one |
| 7H-Furo[3,2-g][1]benzopyran-7-one, 2,3-dihydro-2-(1-hydroxy-1-methylethyl)- |
| 2-(1-Hydroxy-1-methyl-ethyl)-2,3-dihydro-furo[3,2-g]chromen-7-one |
| S(+)-Marmesin |
| 2-(1-Hydroxy-1-methylethyl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| (2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one |
| S-(+)-Marmesin |
