Classification Term: 1146
Isothiocyanates (ontology term: CHEMONTID:0001234)
Organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S." []
found 28 associated metabolites at class metabolite taxonomy ontology rank level.
Ancestor: Organosulfur compounds
Child Taxonomies: Isothiocyanate acids
Allyl isothiocyanate
Allyl isothiocyanate is a volatile organic compound. Allyl isothiocyanate (AITC) is a constituent of mustard, horseradish and wasabi and certain vegetables found in the human diet, mostly in cruciferous vegetables. AITC is a colorless to pale yellow liquid that is slightly soluble in water, but soluble in most organic solvents. AITC possesses numerous biochemical and physiological activities. It is cytotoxic and tumorigenic at high doses and is also a modulator of enzymes involved in metabolism of xenobiotics, including carcinogens. It is plausible that the wide consumption of dietary AITC may have profound effects on human health. oxidative DNA damage may play important roles in carcinogenic processes induced by AITC. Allergic contact dermatitis from AICT is well known but infrequently reported. AITC is occasionally found as a volatile component of normal human biofluids. (PMID:5556886, 8222057, 8000299, 10754276, 15373848). Chief constituent of natural mustard oiland is also found in cooked cabbage, horseradish, etc. Flavouring ingredient. Potential nutriceutical D000074385 - Food Ingredients > D005503 - Food Additives > D005520 - Food Preservatives
Methyl isothiocyanate
Methyl isothiocyanate, also known as methyl mustard or trapex, belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Methyl isothiocyanate is a horseradish, mustard, and pungent tasting compound. Methyl isothiocyanate has been detected, but not quantified, in cabbages and horseradish. This could make methyl isothiocyanate a potential biomarker for the consumption of these foods. Methyl isothiocyanate is a potentially toxic compound.
Isolated from mustard oil, present as glucoside (Methyl glucosinolate
1-Isothiocyanato-7-(methylthio)heptane
1-Isothiocyanato-7-(methylthio)heptane is found in brassicas. Flavour compound of Japanese horseradish (Wasabia japonica). Flavour compound of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-7-(methylthio)heptane is found in brassicas.
1-Isothiocyanato-6-(methylthio)hexane
1-Isothiocyanato-6-(methylthio)hexane is found in brassicas. Flavour compound of Japanese horseradish (Wasabia japonica
Erucin
Occurs in seeds of salad rocket. Erucin is found in many foods, some of which are brassicas, cabbage, kohlrabi, and white cabbage. Erucin is found in brassicas. Erucin occurs in seeds of salad rocket.
1-Isothiocyanato-8-(methylthio)octane
1-Isothiocyanato-8-(methylthio)octane is found in brassicas. 1-Isothiocyanato-8-(methylthio)octane is a flavour component of Japanese horseradish (Wasabia japonica). Flavour component of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-8-(methylthio)octane is found in brassicas.
(E)-4-Isothiocyanato-1-(methylthio)-1-butene
(Z)-4-Isothiocyanato-1-(methylthio)-1-butene is found in root vegetables. (Z)-4-Isothiocyanato-1-(methylthio)-1-butene is a minor component of radish isolated by gas liquid chromatography (GLC)
Ibervirin
Ibervirin is found in brassicas. Ibervirin is found in hydrolysates of crucifer seeds. Also found in cabbage, cauliflower, kohlrabi, horse radish (Armoracia lapathifolia), Japanese horseradish (Wasabi japonica) and radish (Rapharius sativus). Ibervirin is a flavouring ingredien Found in hydrolysates of crucifer seedsand is also found in cabbage, cauliflower, kohlrabi, horse radish (Armoracia lapathifolia), Japanese horseradish (Wasabi japonica) and radish (Rapharius sativus). Flavouring ingredient.
Bis(4-isothiocyanatobutyl) disulfide
Bis(4-isothiocyanatobutyl) disulfide is found in brassicas. Bis(4-isothiocyanatobutyl) disulfide is a constituent of salad rocket (Eruca sativa) Constituent of salad rocket (Eruca sativa). Bis(4-isothiocyanatobutyl) disulfide is found in brassicas.
Isobutyl isothiocyanate
Isobutyl isothiocyanate is found in soft-necked garlic. Isobutyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive . Isobutyl isothiocyanate is found in soft-necked garlic.
5-Isothiocyanato-1-pentene
Mustard oil from rape (Brassica napus), brown mustard (Brassica juncea) and other crucifers. Formed from 4-Pentenyl glucosinolate
Berteroin
Berteroin is found in brassicas. Berteroin is produced by Wasabia japonica (Japanese horseradish
4-Isothiocyanato-1-butene
Chief volatile isothiocyanate of enzymically treated seeds of Brassica napus (rape) and other crucifers. Formed from 3-Butenyl glycosinolate
1-Isothiocyanatobutane
1-Isothiocyanatobutane is found in brassicas. 1-Isothiocyanatobutane is a volatile constituent of cabbage and other crucifers arising from enzymic hydrolysis of Butyl glucosinolate
Isoamyl isothiocyanate
Isoamyl isothiocyanate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-Isothiocyanatohexane
1-Isothiocyanatohexane is found in brassicas. 1-Isothiocyanatohexane is isolated from radish (Raphanus sativus) and other crucifers. Isolated from radish (Raphanus sativus) and other crucifers. 1-Isothiocyanatohexane is found in brassicas.
1-Isothiocyanatopentane
1-Isothiocyanatopentane is found in brassicas. 1-Isothiocyanatopentane is isolated from Japanese radish (Raphanus sativus var. niger) roots. Isolated from Japanese radish (Raphanus sativus variety niger) roots. 1-Isothiocyanatopentane is found in brassicas.
7-Isothiocyanato-1-heptene
7-Isothiocyanato-1-heptene is found in brassicas. 7-Isothiocyanato-1-heptene is isolated from a hydrolysate of Wasabia japonica (Japanese horseradish). Isolated from a hydrolysate of Wasabia japonica (Japanese horseradish). 7-Isothiocyanato-1-heptene is found in brassicas.
1-Isothiocyanato-4-methylpentane
1-Isothiocyanato-4-methylpentane is found in root vegetables. 1-Isothiocyanato-4-methylpentane is isolated from radish (Raphanus sativus). Isolated from radish (Raphanus sativus). 1-Isothiocyanato-4-methylpentane is found in root vegetables.
6-Isothiocyanato-1-hexene
6-Isothiocyanato-1-hexene is found in brassicas. 6-Isothiocyanato-1-hexene is isolated from a hydrolysate of Japanese horseradish (Wasabia japonica) and from radish (Raphanus sativus). Isolated from a hydrolysate of Japanese horseradish (Wasabia japonica) and from radish (Raphanus sativus). 6-Isothiocyanato-1-hexene is found in brassicas and root vegetables.
1-Isothiocyanato-2-(methylthio)ethane
Present as the glucosinolate in horseradish (Armoracia lapathifolia). 1-Isothiocyanato-2-(methylthio)ethane is found in brassicas. 1-Isothiocyanato-2-(methylthio)ethane is found in brassicas. Present as the glucosinolate in horseradish (Armoracia lapathifolia).
Isothiocyanatocyclohexane
Isothiocyanatocyclohexane belongs to the family of Isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S
Isothiocyanatocyclopropane
Isothiocyanatocyclopropane belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
D-2-Butylisothiocyanate
D-2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. D-2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). D-2-butylisothiocyanate can be found in horseradish, which makes D-2-butylisothiocyanate a potential biomarker for the consumption of this food product.
Butenyl isothiocyanate
Butenyl isothiocyanate, also known as bylitc, is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Butenyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Butenyl isothiocyanate can be found in corn and oat, which makes butenyl isothiocyanate a potential biomarker for the consumption of these food products.
2-Butylisothiocyanate
2-butylisothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. 2-butylisothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 2-butylisothiocyanate is a green tasting compound and can be found in a number of food items such as white cabbage, broccoli, brussel sprouts, and cabbage, which makes 2-butylisothiocyanate a potential biomarker for the consumption of these food products.
Ethyl isothiocyanate
Ethyl isothiocyanate, also known as eitc or isothiocyanic acid, ethyl ester, is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Ethyl isothiocyanate is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ethyl isothiocyanate is a garlic, mustard, and pungent tasting compound found in horseradish, which makes ethyl isothiocyanate a potential biomarker for the consumption of this food product.
Isopropyl isothiocyanate
Isopropyl isothiocyanate is a member of the class of compounds known as isothiocyanates. Isothiocyanates are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S. Isopropyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isopropyl isothiocyanate is a mustard and pungent tasting compound found in brussel sprouts, chinese mustard, and horseradish, which makes isopropyl isothiocyanate a potential biomarker for the consumption of these food products.