Chemical Formula: C13H20O
Chemical Formula C13H20O
Found 125 metabolite its formula value is C13H20O
alpha-Ionone
alpha-Ionone, also known as (e)-alpha-ionone or trans-a-ionone, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. alpha-Ionone is a potentially toxic compound. Alpha-ionone is a neutral compound. Alpha-ionone has a dry, floral, and flower taste with a cedar wood-like scent. It is a naturally occurring organic compound found in a variety of essential oils, including rose oil, flowers from Boronia megastigma (brown boronia; doi: 10.21273/hortsci.30.4.876d) and coml oil. Alpha-ionone is found in highest concentrations in corns, tea, and carrots and in lower concentrations in hyssops, peppermints, and safflowers. Alpha-ionone has also been detected in common grapes, sour cherries, common wheats, garden tomato, and wakames making beta-ionone a potential biomarker for the consumption of these foods. Alpha-ionone is used as to make Vitamins A, E and K1. It is used as a fragrance in perfumes, cosmetics and personal care products, and household cleaners and detergents. Alpha-ionone is used as a food flavoring in beverages, ice cream, baked goods and candies. Alpha-ionone, also known as (E)-α-ionone or alpha-cyclocitrylideneacetone, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Alpha-ionone is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Alpha-ionone is a sweet, floral, and fruity tasting compound and can be found in a number of food items such as tea, wild carrot, wild celery, and ginkgo nuts, which makes alpha-ionone a potential biomarker for the consumption of these food products. Alpha-ionone can be found primarily in saliva. Alpha-ionone exists in all eukaryotes, ranging from yeast to humans. Alpha-ionone is a non-carcinogenic (not listed by IARC) potentially toxic compound. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
beta-Ionone
Beta-ionone is a colorless to light yellow liquid with an odor of cedar wood. In very dilute alcoholic solution the odor resembles odor of violets. Used in perfumery. Beta-ionone is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance. beta-Ionone is a natural product found in Nepeta nepetella, Vitis rotundifolia, and other organisms with data available. beta-Ionone is a metabolite found in or produced by Saccharomyces cerevisiae. beta-Ionone, also known as (e)-b-ionone or trans-beta-ionone, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Found in many essential oils including oil of Boronia megastigma (brown boronia) and coml. ionone. Flavouring agent An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. β-Ionone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=79-77-6 (retrieved 2024-11-06) (CAS RN: 79-77-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one
4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one is an enone. (E)-beta-Damascone is a natural product found in Nicotiana tabacum, Scutellaria baicalensis, and Baccharis dracunculifolia with data available. beta-Damascone is found in tea. beta-Damascone is a constituent of tea and rose oils. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids It is used as a food additive . β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2]. β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2].
(R)-(E)-4,7-Megastigmadien-9-one
(R)-(E)-4,7-Megastigmadien-9-one is a constituent of many essential oils. (R)-(E)-4,7-Megastigmadien-9-one is a flavouring agent with woody-violet fragrance Constituent of many essential oils. Flavouring agent with woody-violet fragrance
gamma-Ionone
(S)-gamma-Ionone is found in fruits. (S)-gamma-Ionone is a constituent of Tamarindus indica (tamarind) Flavouring agent. gamma-Ionone is found in tamarind.
(E)-5,8-Megastigmadien-4-one
(Z)-5,8-Megastigmadien-4-one is found in fruits. (Z)-5,8-Megastigmadien-4-one is a constituent of Passiflora edulis (passion fruit) Constituent of Nicotiana tabacum and Passiflora edulis (passion fruit). (E)-5,8-Megastigmadien-4-one is found in fruits.
Edulan I
Key flavour constituent in purple passion fruit (Passiflora edulis). Edulan I is found in fruits. Edulan II is found in fruits. Key flavour constituent in purple passion fruit (Passiflora edulis
2,5-Diisopropyl-3-methylphenol
2,5-Diisopropyl-3-methylphenol is found in herbs and spices. 2,5-Diisopropyl-3-methylphenol is a constituent of the essential oil of Coridothymus capitatus (Spanish oregano) Constituent of the essential oil of Coridothymus capitatus (Spanish oregano). 2,5-Diisopropyl-3-methylphenol is found in herbs and spices.
2,6-Diisopropyl-3-methylphenol
2,6-Diisopropyl-3-methylphenol is found in herbs and spices. 2,6-Diisopropyl-3-methylphenol is a constituent of essential oils of Spanish oregano (Coridothymus capitatus) and Origanum species Constituent of essential oils of Spanish oregano (Coridothymus capitatus) and Origanum subspecies 2,6-Diisopropyl-3-methylphenol is found in herbs and spices.
Pseudoionone
Pseudoionone (CAS: 141-10-6), also known as citrylideneacetone or psi-ionone, belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Pseudoionone is an extremely weak basic (essentially neutral) compound (based on its pKa). Pseudoionone is a sweet, balsamic, and citrus tasting compound. Outside of the human body, pseudoionone has been detected, but not quantified in, a few different foods, such as cherry tomato and garden tomato. This could make pseudoionone a potential biomarker for the consumption of these foods. Pseudoionone is used as a food additive (EAFUS: Everything Added to Food in the United States). It is used as a food additive .
2,3-Diisopropyl-5-methylphenol
2,3-Diisopropyl-5-methylphenol is found in herbs and spices. 2,3-Diisopropyl-5-methylphenol is a constituent of the essential oil of Coridothymus capitatus (Spanish oregano) Constituent of the essential oil of Coridothymus capitatus (Spanish oregano). 2,3-Diisopropyl-5-methylphenol is found in herbs and spices.
2,5-Diisopropyl-4-methylphenol
2,5-Diisopropyl-4-methylphenol is found in herbs and spices. 2,5-Diisopropyl-4-methylphenol is a constituent of the essential oil of Coridothymus capitatus (Spanish oregano) Constituent of the essential oil of Coridothymus capitatus (Spanish oregano). 2,5-Diisopropyl-4-methylphenol is found in herbs and spices.
2,4-Diisopropyl-5-methylphenol
2,4-Diisopropyl-5-methylphenol is found in herbs and spices. 2,4-Diisopropyl-5-methylphenol is a constituent of the essential oil of Coridothymus capitatus (Spanish oregano) Constituent of the essential oil of Coridothymus capitatus (Spanish oregano). 2,4-Diisopropyl-5-methylphenol is found in herbs and spices.
alpha-Damascone
Detected as minor constituent of black tea leaves (nearly racemic mixture). alpha-Damascone is found in tea. alpha-Damascone is found in tea. Detected as minor constituent of black tea leaves (nearly racemic mixture
Vitispirane
Constituent of the juice of wine grape (Vitis vinifera). Vitispirane is found in alcoholic beverages, fruits, and common grape. Vitispirane is found in alcoholic beverages. Vitispirane is a constituent of the juice of wine grape (Vitis vinifera). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
2,4-Diisopropyl-3-methylphenol
2,4-Diisopropyl-3-methylphenol is found in herbs and spices. 2,4-Diisopropyl-3-methylphenol is a constituent of the essential oil of Coridothymus capitatus (Spanish oregano)
2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol
2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol is found in fruits. 2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol is a constituent of quince fruit flavour (Cydonia oblonga). Constituent of quince fruit flavour (Cydonia oblonga). 2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol is found in quince and fruits.
4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde
4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde is used in flavouring formulation It is used in flavouring formulations.
(2E,4Z,7Z)-2,4,7-Tridecatrienal
(2E,4Z,7Z)-2,4,7-Tridecatrienal is found in animal foods. (2E,4Z,7Z)-2,4,7-Tridecatrienal is a component of cooked chicken flavour. (2E,4Z,7Z)-2,4,7-Tridecatrienal is a flavouring ingredient. Component of cooked chicken flavour. Flavouring ingredient. (2E,4Z,7Z)-2,4,7-Tridecatrienal is found in animal foods.
delta-Damascone
(±)-trans,trans-delta-Damascone is a food flavouring and perfumery ingredien Food flavouring and perfumery ingredient
Isospirene
Isospirene is a fragrance ingredient with a blackcurrant-like arom Fragrance ingredient with a blackcurrant-like aroma
Cycloionone
Cycloionone is found in alcoholic beverages. Cycloionone is present in cognac. Cycloionone is a food flavouring ingredien Present in cognac. Food flavouring ingredient. Cycloionone is found in alcoholic beverages.
4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone
4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone is found in fruits. 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone is a flavouring ingredient. 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone is present in cooked raspberries. 4-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-butanone or simply dehydrodihydroionone is a flavouring ingredient. It is found in fruits, specifically cooked raspberries.
Phenethyl isoamyl ether
Phenethyl isoamyl ether is used in perfumes, household products and food flavouring [CCD]. It is used in perfumes, household products and food flavouring [CCD]
α-ionone
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
10-nor-cis-alpha-irone|3-(2,5,6,6-Tetramethyl-2-cyclohexenyl)-2-propenal
2,7-Epoxy-4,8-megastigmadiene|2,7-Epoxy-megastigma-4,8(E)-dien
1-(3,6,6-Trimethyl-1-cyclohexen-1-yl)-2-buten-1-one
4-(2,6,6-Trimethylcyclohex-1-enyl)but-2-en-4-one
1,4,4,7a-tetramethyl-2,4,5,7a-tetrahydro-1H-inden-2-ol
Vitispirane
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
damascone
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2]. β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2].
8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene-2-carbaldehyde
1H-Inden-1-one,2,3-diethyl-2,3,4,5,6,7-hexahydro-(9CI)
(Z)-3-(2-Butenyl)-2,4,4-trimethylcyclohex-2-en-1-one
β-Ionone
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1].
LS-871
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1]. β-Ionone is effective in the induction of apoptosis in gastric adenocarcinoma SGC7901 cells. Anti-cancer activity[1].
Damasione
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2]. β-Damascone is an aroma active rice volatile and is widely used in perfume compositions. β-Damascone has also received certain attention as a potential cancer chemopreventive and a mosquito and muscoid insecticide[1][2].
4-Propyl-4,4a,5,6,7,8-hexahydro-2(3H)-naphthalenone
dihydrodehydro-beta-Ionone
A member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6.
2,4,5,7alpha-Tetrahydro-1,4,4,7a-tetramethyl-1H-inden-2-ol
(3e)-4-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]but-3-en-2-one
3-(2,5,6,6-tetramethylcyclohex-2-en-1-yl)prop-2-enal
1,1alpha,2,4,6,7,7alpha,7beta-octahydro-1,1,7alpha-tetramethyl-5h-cyclopropa(alpha)-naphthalen-5-one
{"Ingredient_id": "HBIN000344","Ingredient_name": "1,1alpha,2,4,6,7,7alpha,7beta-octahydro-1,1,7alpha-tetramethyl-5h-cyclopropa(alpha)-naphthalen-5-one","Alias": "NA","Ingredient_formula": "C13H20O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31744","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,4,5,6,7,7a-hexahydro-4-methyl-7-(1-methylethyl)-2H-inden-2-one
{"Ingredient_id": "HBIN001330","Ingredient_name": "1,4,5,6,7,7a-hexahydro-4-methyl-7-(1-methylethyl)-2H-inden-2-one","Alias": "NA","Ingredient_formula": "C13H20O","Ingredient_Smile": "CC1CCC(C2C1=CC(=O)C2)C(C)C","Ingredient_weight": "192.3","OB_score": "49.72445136","CAS_id": "56771-91-6","SymMap_id": "SMIT13498","TCMID_id": "NA","TCMSP_id": "MOL012767","TCM_ID_id": "NA","PubChem_id": "539806","DrugBank_id": "NA"}
3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-2(1H)-naphthalenone
{"Ingredient_id": "HBIN007227","Ingredient_name": "3,4,4a,5,6,7-hexahydro-1,1,4a-trimethyl-2(1H)-naphthalenone","Alias": "NA","Ingredient_formula": "C13H20O","Ingredient_Smile": "CC1(C(=O)CCC2(C1=CCCC2)C)C","Ingredient_weight": "192.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40805","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "535380","DrugBank_id": "NA"}
beta.-Pinene
{"Ingredient_id": "HBIN018243","Ingredient_name": "beta.-Pinene","Alias": "NA","Ingredient_formula": "C13H20O","Ingredient_Smile": "CC(=O)CC1CC2CC(C1=C)C2(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33300","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}