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MedKoo Cat#: 146203 | Name: Isoelemicin

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Isoelemicin is a naturally occurring phenylpropene compound found in certain essential oils, such as those from nutmeg. Structurally related to compounds like safrole and myristicin, isoelemicin has been studied for its psychoactive properties and potential as a precursor in the synthesis of pharmacologically active compounds. Its mechanism of action is not fully understood but is thought to involve interaction with the central nervous system, possibly affecting monoamine neurotransmission. Applications of isoelemicin are limited, though it has attracted interest in psychopharmacology and organic synthesis research.

Chemical Structure

Isoelemicin
Isoelemicin
CAS#5273-85-8

Theoretical Analysis

MedKoo Cat#: 146203

Name: Isoelemicin

CAS#: 5273-85-8

Chemical Formula: C12H16O3

Exact Mass: 208.1099

Molecular Weight: 208.26

Elemental Analysis: C, 69.21; H, 7.74; O, 23.05

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Isoelemicin;
IUPAC/Chemical Name
(E)-1,2,3-trimethoxy-5-(prop-1-en-1-yl)benzene
InChi Key
RRXOQHQFJOQLQR-AATRIKPKSA-N
InChi Code
1S/C12H16O3/c1-5-6-9-7-10(13-2)12(15-4)11(8-9)14-3/h5-8H,1-4H3/b6-5+
SMILES Code
COC1=CC(\C=C\C)=CC(OC)=C1OC
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 208.26 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Huang XQ, Yahyaa M, Kongala PR, Maoz I, Dudareva N, Ibdah M. Biosynthesis of elemicin and isoelemicin in Daucus carota leaves. Plant J. 2025 Jan;121(2):e17201. doi: 10.1111/tpj.17201. Epub 2024 Dec 18. PMID: 39693218. 2: Solheim E, Scheline RR. Metabolism of alkenebenzene derivatives in the rat. III. Elemicin and isoelemicin. Xenobiotica. 1980 May;10(5):371-80. doi: 10.3109/00498258009033770. PMID: 7415220. 3: Martins RC, Lago JH, Albuquerque S, Kato MJ. Trypanocidal tetrahydrofuran lignans from inflorescences of Piper solmsianum. Phytochemistry. 2003 Sep;64(2):667-70. doi: 10.1016/s0031-9422(03)00356-x. PMID: 12943793. 4: Ramos CS, Kato MJ. Secondary metabolites from the phloem of Piper solmsianum (Piperaceae) in the honeydew of Edessa meditabunda. Phytochem Anal. 2012 Nov- Dec;23(6):604-6. doi: 10.1002/pca.2361. Epub 2012 Mar 7. PMID: 22407565. 5: Lee NH, Xu YJ, Goh SH. 5-Oxonoraporphines from Mitrephora cf. maingayi. J Nat Prod. 1999 Aug;62(8):1158-9. doi: 10.1021/np980565x. PMID: 10479326. 6: Trusheva B, Ivanova D, Popova M, Bankova V. Insights into the Essential Oil Compositions of Brazilian Red and Taiwanese Green Propolis. Nat Prod Commun. 2017 Feb;12(2):197-200. PMID: 30428210. 7: Radjabian T, Salimi A, Rahmani N. --Essential-oil composition of the fruits of six Heracleum L. species from Iran: chemotaxonomic significance. Chem Biodivers. 2014 Dec;11(12):1945-53. doi: 10.1002/cbdv.201400085. PMID: 25491338. 8: Wang YT, Zhu L, Zeng D, Long W, Zhu SM. Chemical composition and anti- inflammatory activities of essential oil from Trachydium roylei. J Food Drug Anal. 2016 Jul;24(3):602-609. doi: 10.1016/j.jfda.2016.02.009. Epub 2016 Apr 11. PMID: 28911567; PMCID: PMC9336664. 9: Jamal HAA, Husaini A, Sing NN, Roslan HA, Zulkharnain A, Akinkunmi WA. Characterization of bioactive compounds produced by endophytic fungi isolated from Gynura procumbens (Sambung Nyawa). Braz J Microbiol. 2022 Dec;53(4):1857-1870. doi: 10.1007/s42770-022-00827-w. Epub 2022 Sep 16. Erratum in: Braz J Microbiol. 2022 Dec;53(4):2343. doi: 10.1007/s42770-022-00873-4. PMID: 36109458; PMCID: PMC9679110. 10: Gaglio R, Barbera M, Aleo A, Lommatzsch I, La Mantia T, Settanni L. Inhibitory Activity and Chemical Characterization of Daucus carota subsp. maximus Essential Oils. Chem Biodivers. 2017 May;14(5). doi: 10.1002/cbdv.201600477. Epub 2017 Apr 17. PMID: 28171692. 11: Ušjak LJ, Petrović SD, Drobac MM, Soković MD, Stanojković TP, Ćirić AD, Grozdanić NÐ, Niketić MS. Chemical Composition, Antimicrobial and Cytotoxic Activity of Heracleum verticillatum Pančić and H. ternatum Velen. (Apiaceae) Essential Oils. Chem Biodivers. 2016 Apr;13(4):466-76. doi: 10.1002/cbdv.201500151. PMID: 26991469. 12: Grice ID, Rogers KL, Griffiths LR. Isolation of Bioactive Compounds That Relate to the Anti-Platelet Activity of Cymbopogon ambiguus. Evid Based Complement Alternat Med. 2011;2011:467134. doi: 10.1093/ecam/nep213. Epub 2011 Feb 14. PMID: 20047890; PMCID: PMC3135635. 13: D'Auria M, Lorenz R, Mecca M, Racioppi R, Romano VA, Viggiani L. Fragrance components of Gymnadenia conopsea and Gymnadenia odoratissima collected at several sites in Italy and Germany. Nat Prod Res. 2022 Jul;36(13):3435-3439. doi: 10.1080/14786419.2020.1851227. Epub 2020 Nov 28. PMID: 33249883. 14: Parki A, Chaubey P, Prakash O, Kumar R, Pant AK. Seasonal Variation in Essential Oil Compositions and Antioxidant Properties of Acorus calamus L. Accessions. Medicines (Basel). 2017 Nov 8;4(4):81. doi: 10.3390/medicines4040081. PMID: 29117116; PMCID: PMC5750605. 15: Ali I, Mu Y, Atif M, Hussain H, Li J, Li D, Shabbir M, Bankeu JJK, Cui L, Sajjad S, Wang D, Wang X. Separation and anti-inflammatory evaluation of phytochemical constituents from Pleurospermum candollei (Apiaceae) by high-speed countercurrent chromatography with continuous sample load. J Sep Sci. 2021 Jul;44(13):2663-2673. doi: 10.1002/jssc.202100155. Epub 2021 May 22. PMID: 33914393. 16: Ušjak L, Petrović S, Drobac M, Soković M, Stanojković T, Ćirić A, Niketić M. Essential oils of three cow parsnips - composition and activity against nosocomial and foodborne pathogens and food contaminants. Food Funct. 2017 Jan 25;8(1):278-290. doi: 10.1039/c6fo01698g. PMID: 28009867. 17: Ávila M, Calzada J, Muñoz-Tébar N, Sánchez C, Ortiz de Elguea-Culebras G, Carmona M, Molina A, Berruga MI, Garde S. Inhibitory activity of aromatic plant extracts against dairy-related Clostridium species and their use to prevent the late blowing defect of cheese. Food Microbiol. 2023 Apr;110:104185. doi: 10.1016/j.fm.2022.104185. Epub 2022 Nov 7. PMID: 36462831. 18: Chiu S, Wang T, Belski M, Abourashed EA. HPLC-Guided Isolation, Purification and Characterization of Phenylpropanoid and Phenolic Constituents of Nutmeg Kernel (Myristica fragrans). Nat Prod Commun. 2016 Apr;11(4):483-8. PMID: 27396199; PMCID: PMC4943679. 19: Bisht D, Pal A, Chanotiya CS, Mishra D, Pandey KN. Terpenoid composition and antifungal activity of three commercially important essential oils against Aspergillus flavus and Aspergillus niger. Nat Prod Res. 2011 Dec;25(20):1993-8. doi: 10.1080/14786419.2010.521926. Epub 2011 Jun 27. PMID: 21707253. 20: Alves Borges Leal AL, Machado AJT, Bezerra CF, Serra Inácio CE, Rocha JE, Sales DL, de Freitas TS, de Oliveira Almeida W, Amaral WD, Everson da Silva L, Ferriani AP, de Noronha Sales Maia BHL, Bezerra Morais-Braga MF, Barreto HM, Coutinho HDM. Chemical identification and antimicrobial potential of essential oil of Piper rivinoides kunth (BETIS-WHITE). Food Chem Toxicol. 2019 Sep;131:110559. doi: 10.1016/j.fct.2019.06.006. Epub 2019 Jun 7. PMID: 31176927.

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