Methylsticin
Methylsticin structure
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Common Name | Methylsticin | ||
|---|---|---|---|---|
| CAS Number | 495-85-2 | Molecular Weight | 274.269 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 496.5±45.0 °C at 760 mmHg | |
| Molecular Formula | C15H14O5 | Melting Point | 139-140.5ºC | |
| MSDS | USA | Flash Point | 223.9±28.8 °C | |
Use of MethylsticinMethylsticin is a kavalactone isolated from the kava roots. Methylsticin exhibit osteoclast formation inhibitory activity[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Methylsticin is a kavalactone isolated from the kava roots. Methylsticin exhibit osteoclast formation inhibitory activity[1]. |
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| Related Catalog | |
| References |
[1]. Shoujun Chen, et al. Methods of inhibiting osteoclast activity. US20030229137A1. |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 496.5±45.0 °C at 760 mmHg |
| Melting Point | 139-140.5ºC |
| Molecular Formula | C15H14O5 |
| Molecular Weight | 274.269 |
| Flash Point | 223.9±28.8 °C |
| Exact Mass | 274.084137 |
| PSA | 53.99000 |
| LogP | 1.81 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.597 |
| InChIKey | GTEXBOVBADJOQH-FWEMWIAWSA-N |
| SMILES | COC1=CC(=O)OC(C=Cc2ccc3c(c2)OCO3)C1 |
| Storage condition | 2-8°C |
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| RIDADR | NONH for all modes of transport |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~58%
Methylsticin CAS#:495-85-2 |
| Literature: Soldi, Cristian; Moro, Angelica V.; Pizzolatti, Moacir G.; Correia, Carlos R. D. European Journal of Organic Chemistry, 2012 , # 19 p. 3607 - 3616 |
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~42%
Methylsticin CAS#:495-85-2 |
| Literature: Amaral, Patricia A.; Gouault, Nicolas; Roch, Myriam Le; Eifler-Lima, Vera L.; David, Michele Tetrahedron Letters, 2008 , vol. 49, # 47 p. 6607 - 6609 |
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~%
Methylsticin CAS#:495-85-2 |
| Literature: Soldi, Cristian; Moro, Angelica V.; Pizzolatti, Moacir G.; Correia, Carlos R. D. European Journal of Organic Chemistry, 2012 , # 19 p. 3607 - 3616 |
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~%
Methylsticin CAS#:495-85-2 |
| Literature: Ali Shaik, Ahmad; Tan, Jonathan; Lue, Junxuan; Xing, Chengguo Arkivoc, 2012 , vol. 2012, # 8 p. 137 - 145 |
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~%
Methylsticin CAS#:495-85-2 |
| Literature: Ali Shaik, Ahmad; Tan, Jonathan; Lue, Junxuan; Xing, Chengguo Arkivoc, 2012 , vol. 2012, # 8 p. 137 - 145 |
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~%
Methylsticin CAS#:495-85-2 |
| Literature: Klohs et al. Journal of Organic Chemistry, 1959 , vol. 24, p. 1829 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 6 | |
|---|---|
| DownStream 4 | |
CAS#:99-50-3
CAS#:3155-58-6![2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one structure](https://image.chemsrc.com/caspic/109/3155-57-5.png)
CAS#:3155-57-5This table lists relevant public references with title, journal and publication metadata for this compound.
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Fatal kavalactone intoxication by suicidal intravenous injection.
Forensic Sci. Int. 249 , e7-11, (2015) Kavalactones are a group of compounds found in kava, a beverage or extract prepared from the rhizome of the kava plant (Piper methysticum). Traditionally kava extracts have been used for their anxioly... |
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Influence of genuine kavapyrone enantiomers on the GABA-A binding site.
Planta Med. 64(6) , 504-6, (1998) The influence of kavapyrones from Piper methysticum Forst. on the GABAA receptor was demonstrated using radioreceptor assays. Both the dienolide yangonin and the genuine enolide enantiomers (+)-kavain... |
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Interaction of various Piper methysticum cultivars with CNS receptors in vitro.
Planta Med. 67(4) , 306-11, (2001) Methanolic leaf and root extracts of the Hawaiian kava (Piper methysticum Forst.) cultivars, Mahakea, Nene, Purple Moi and PNG, were tested on binding affinities to CNS receptors including GABAA (GABA... |
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (E)-6-[2-(benzo[d][1,3]dioxol-5-yl)vinyl]-4-methoxy-5,6-dihydropyran-2-one |
| (+-)-Methysticin |
| (R-(E))-6-(2-(1,3-Benzodioxol-5-yl)ethenyl)-5,6-dihydro-4-methoxy-2H-pyran-2-one |
| [R-(E)]-6-[2-(1,3-Benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-2H-pyran-2-one |
| 6-(3',4'-Methylenedioxystyryl)-4-methoxy-5,6-dihydro-2H-pyran-2-one |
| Kavahin |
| (6S)-6-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one |
| Methysticin |
| 4-Methoxy-6-[b-(3',4'-methylenedioxyphenyl)vinyl]-5,6-dihydro-a-pyrone |
| (6R)-6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one |
| 5-Hydroxy-3-methoxy-7-[3,4-(methylenedioxy)phenyl]-2,6-heptadienoic Acid d-Lactone |
| 6-(2-benzo[1,3]dioxol-5-yl-vinyl)-4-methoxy-5,6-dihydro-pyran-2-one |
| (E)-6-[2-(benzo[d][1,3]dioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one |
| (R)-5,6-Dihydro-4-methoxy-6-(3,4-(methylenedioxy)styryl)-2H-pyran-2-one |
| (6R)-6-[(E)-2-(1,3-Benzodioxol-5-yl)vinyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one |
| Kavatin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: CAS number of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is 495-85-2. |
| Q: What is the English name of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: The English name of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one. |
| Q: What is the melting point of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: Melting point of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is 139-140.5ºC. |
| Q: What is the InChIKey of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: InChIKey of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is GTEXBOVBADJOQH-FWEMWIAWSA-N. |
| Q: What is the SMILES notation of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: SMILES notation of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is COC1=CC(=O)OC(C=Cc2ccc3c(c2)OCO3)C1. |
| Q: What are the upstream materials of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: Related upstream materials(CAS) of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one: 1092383-57-7;1682-37-7;5876-51-7;120-57-0;58095-77-5;26536-93-6. |
| Q: What are the downstream products of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: Related downstream products(CAS) of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one: 99-50-3;120-57-0;3155-58-6;3155-57-5. |
| Q: What is the LogP of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: LogP of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is 1.81. |
| Q: What is the polar surface area (PSA) of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: Polar surface area (PSA) of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is 53.99000. |
| Q: What is the molecular weight of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one? |
| A: Molecular weight of (2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one is 274.269. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |