Myristicin

HCID 4276CAS 607-91-0

Basic information

Standard SMILES
C=CCc1cc(OC)c2c(c1)OCO2
InChIKey
BNWJOHGLIBDBOB-UHFFFAOYSA-N
Molecular formula
C11H12O3
Average molar mass
192.21 g/mol
Monoisotopic mass
192.07864424

Overview

Myristicin is an organic molecular entity. It has a role as a metabolite.

Names & identifiers

Preferred name
Myristicin
IUPAC
4-methoxy-6-prop-2-enyl-1,3-benzodioxole
English name
Myristicin
Molecular formula
C11H12O3
Molecular weight
192.21

Names & synonyms

Myristicin607-91-06-Allyl-4-methoxy-1,3-benzodioxole1,3-Benzodioxole, 4-methoxy-6-(2-propenyl)-5-Allyl-1-methoxy-2,3-(methylenedioxy)benzeneDTXSID1025693Benzene, 5-allyl-1-methoxy-2,3-(methylenedioxy)-4-methoxy-6-(prop-2-en-1-yl)-2H-1,3-benzodioxole04PD6CT78WDTXCID605693RefChem:819742210-146-9
Show more names
MYRISTICIN(SG)Myristicine-RM5-methoxysafroleMYRISTICIN WITH GCMyristicin USP/EP/BPMyristicin (Standard)Myristicin, 10 mM in DMSO
Myristicine4-Methoxy-6-(2-propenyl)-1,3-benzodioxoleMFCD001335496-allyl-4-methoxybenzo[d][1,3]dioxole4-Methoxy-6-[2-propenyl]-1,3-benzodioxoleCHEBI:682345-Allyl-2,3-(methylendioxy)anisoleMyristicin (6CI)

Database identifiers

CAS
607-91-0
PubChem CID
4276
DTXSID
DTXSID1025693
ChEMBL
CHEMBL481044
ChEBI
CHEBI:68234
UNII
04PD6CT78W
EC Number
210-146-9
Nikkaji
J36.670F

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
27.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Plant Toxins
SpringerMaterials PropertiesBoiling point
Density · 2 items

1.1416 at 20 °C g/cu cm

1.143-1.145

Solubility · 3 items

Insoluble in water, slightly soluble in ethanol, soluble in ether and benzene.

Practically insoluble to insoluble in water

Soluble (in ethanol)

Boiling Point · 3 items

276.5 °C

171.00 to 173.00 °C. @ 40.00 mm Hg

250 °C

Melting Point · 2 items

<-20 °C

< -20 °C

Physicochemical properties

Melting point
-20 ℃ · -20℃
Boiling point
40 · bp40 173°
Density
2020 · d2020 1.1437
refractive index
20 · nD20 1.54032
storage temp.
2 · 2-8°C
solubility
Soluble in acetone, ethanol and methanol;

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 90.3% (130 of 144) of all reports.

Not Classified

Aggregated GHS information provided per 144 reports by companies from 5 notifications to the ECHA C&L Inventory.

Hazard information

Hazards Summary · 1 item

Emergency treatment: Plants- nutmeg; [HSDB] Toxicity occurs after ingestion of 1-3 whole nuts or 1-2 tablespoons of ground nutmeg; CNS symptoms predominate and may resemble the anticholinergic syndrome with flushing, dryness, tachycardia, hypertension, and delirium with resolution usually within 24 hours; Higher doses cause coma, and one fatal case has been reported; [Goldfrank, p. 626] Effects in high-dose animal studies include general anesthesia and fatty liver degeneration; [RTECS] An irritant; Targets nerves; [Sigma MSDS]

Hazard Classes and CategoriesNot Classified

Safety & protection

Disposal Methods · 1 item

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

Toxicology

Interactions · 1 item

Simultaneous topical application of myristicin followed by paraoxon application, caused substantial incr in the toxicity of paraoxon. LD50 values indicated a 10-fold incr in paraoxon toxicity due to a topical application of myristicin at a sublethal dosage of 2 ug/fly.

Health EffectsMyristicin has neurotoxic effects and hallucinogenic properties. (L1271)
Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 950(SRC), determined from a structure estimation method(2), indicates that myristicin is expected to have low mobility in soil(SRC). Volatilization of myristicin from moist soil surfaces is not expected to be an important fate process(SRC) given an estimated Henry's Law constant of 5.4X10-7 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Myristicin is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 6.5X10-3 mm Hg(SRC), determined from a fragment constant method(4). Biodegradation data were not available(SRC, 2007).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 950(SRC), determined from a structure estimation method(2), indicates that myristicin is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is not expected(3) based upon an estimated Henry's Law constant of 5.4X10-7 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 100(SRC), from an estimated log Kow of 3.53(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Biodegradation data were not available(SRC, 2007).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), myristicin, which has an estimated vapor pressure of 6.5X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase myristicin is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 2 hours(SRC), calculated from its rate constant of 2.3X10-10 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

Food Survey Values · 1 item

Analysis of water-distilled Sri Lankan nutmeg oil and steam-distilled Indonesian nutmeg oil revealed 3.3 and 5.5% myristicin, respectively(1). Myristicin was identified as a major volatile odor compound released from full-fat and reduced-fat frankfurters(2).

Adverse EffectsNeurotoxin - Other CNS neurotoxin
Exposure RoutesOral (ingestion) (L1817) ; dermal (L1817)

Safety data

F
10-23
PPE
Eyeshields, Gloves
wgk
1
rtecs
CY2625000
ridadr
UN 3082 9/PG 3
Toxicity
A naturally occurring methylenedioxyphenyl compound found in nutmeg. It has been suggested that myristicin may be responsible, in whole or in part, for the toxicity of nutmeg. The spice (5-15 g) causes symptoms similar to atropine poisoning: flushing of the skin, tachycardia, absence of salivation, and excitation of the CNS. Euphoria and hallucinations have given rise to abuse of this material. As a methylenedioxyphenyl compound, myristicin gives rise to a type III spectrum with reduced cytochrome P450 and can inhibit monooxygenations catalyzed by this cytochrome.

Chemistry & industry

Pharmacology

Mechanism of Action · 2 items

To evaluate the hepatoprotective activity of spices, 21 different spices were fed to rats with liver damage caused by lipopolysaccharide (LPS) plus d-galactosamine (D-GalN). As assessed by plasma aminotranferase activities, nutmeg showed the most potent hepatoprotective activity. Bioassay-guided isolation of the active compound from nutmeg was carried out in mice by a single oral administration of the respective fractions. Myristicin, one of the major essential oils of nutmeg, was found to possess extraordinarily potent hepatoprotective activity. Myristicin markedly suppressed LPS/D-GalN-induced enhancement of serum TNF-alpha concentrations and hepatic DNA fragmentation in mice. These findings suggest that the hepatoprotective activity of myristicin might be, at least in part, due to the inhibition of TNF-alpha release from macrophages. ...

Mouse hepatoma Hepa-1c1c7 (Hepa-1) cells were treated with myristicin to assess the role of myristicin in the process of Cyp1a-1 induction. Treatment of Hepa-1 cells with myristicin increased Cyp1a-1 transcription in a dose-dependent manner as shown by analysis of 7-ethoxyresorufin O-deethylase activity, Cyp1a-1 protein level, and Cyp1a-1 mRNA. Myristicin, however, did not competitively displace [3H]2,3,7,8-tetrachlorodibenzo-p-dioxin from the Hepa-1 cytosolic aryl hydrocarbon (Ah) receptor in a competitive Ah receptor binding analysis using sucrose density gradient sedimentation and did not affect formation of DNA-protein complexes between the Ah receptor and its DRE target in a gel mobility shift assay using oligonucleotides corresponding to DRE 3 of the Cyp1a-1. ...

Metabolism/Metabolites · 6 items

In mice, the major metabolic pathway for ... myristicin includes cleavage of the methylenedioxyphenol residue and exhalation of the methylene carbon atom as carbon dioxide.

Myristicin yields 3-methoxycatechol probably in mouse, housefly; yields 1-(3-methoxy-4,5-methylenedioxyphenyl)-3-piperidyl-1-propanone in rat, guinea pig; yields 1-(3-methoxy-4,5-methylenedioxyphenyl)-3-pyrrolidinyl-1-propanone in rat, guinea pig. /From table/

Myristicin was converted into 3-methoxy-4,5-methylenedioxyamphetamine during perfusion of isolated rat liver or incubation with rat liver homogenates.

2 N-containing metabolites of myristicin were excreted in the urine of rats and guinea pigs following oral or ip admin. In the rats the metabolite was 3-piperidyl-1,3-methoxy-4,5-mehtylenedioxyphenyl)-1-propanone while the major metabolite in the guinea pig was 3-pyrrolidinyl-1(3-methoxy-4,5-methylenedioxy-phenyl)-1-propanone.

For more Metabolism/Metabolites (Complete) data for MYRISTICIN (8 total), please visit the HSDB record page.

Myristicin has known human metabolites that include 5-allyl-1-methoxy-2,3-dihydroxybenzene.

Cellular LocationsCytoplasm

Uses & manufacturing

Uses · 3 items

An aromatic ether found in nutmeg, parsley, and carrots; [Merck Index] Thought to be the main active ingredient in nutmeg; [Goldfrank, p. 626]

Myristicin [5-allyl-1-methoxy-2,3-(methylenedioxy)benzene] is a flavoring plant constituent and has been known to produce significant psychopharmacological responses as well as insecticidal activity.

Myristicin is a plant toxin found in the essential oil of nutmeg and to a lesser extent in other spices such as parsley and dill. It is a naturally occurring insecticide and acaricide. (L1271)

Use ClassificationFlavoring Agents -> JECFA Flavorings Index
General Manufacturing Information · 3 items

... it is to be recognized that as much as 6 percent of safrole, a weak hepatocarcinogen, is reported to be present in the essential oil of East Indian nutmeg, the major U.S. source. In 1960 FDA prohibited the use of safrole in food. Moreover, the closely related methoxy derivative of safrole, myristicin, is also present in some nutmeg oils in amounts approximating 5 percent.

THE AROMATIC FRACTION OF OIL OF NUTMEG, OBTAINED FROM 20 G OF NUTMEG, WAS REPORTED TO CONSIST OF: MYRISTICIN 210 MG; ELEMICIN 2 MG; EUGENOL 5 MG; ISOEUGENOL 6 MG; METHYLEUGENOL 18 MG; METHYLISOEUGENOL 11 MG; METHOXYEUGENOL 8 MG. NUTMEGS USUALLY CONTAIN FROM 5 TO 15% VOLATILE OIL, DEPENDING UPON GEOGRAPHIC ORIGIN AND LENGTH OF STORAGE.

Myristicin, 1-allyl-3,4-methylenedioxy-5-methoxybenzene, is a naturally occurring alkenylbenzene compound found in the nutmeg.

Applications · 2 items

DescriptionMyristicin is an alkenylbenzene present in small amounts in the essential oil of nutmeg that is reported to act as a serotonin receptor antagonist, a weak monamine oxidase inhibitor, and to produce hallucinogenic effects. Abuse of myristicin has led to fatal poisoning, which has prompted improved methods for HPLC determination of myristicin in human plasma. This product is intended for forensic and research purposes.

UsesA naturally occurring insecticide and acaricide with possible neurotoxic effects on neuroblastoma cells

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Additional notes

DefinitionThe chief substance inthe ripe seeds of nutmeg (Myristica fragrans).It reduces the levels of cytochrome p-450 andinhibits monooxygenations catalyzed by thisenzyme.

Related reactions

1 records

Linked notes

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Myristicin (HCID 4276)|Huagongshe