Exact Mass: 228.1474
Exact Mass Matches: 228.1474
Found 500 metabolites which its exact mass value is equals to given mass value 228.1474,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bisphenol A
Bisphenol A, commonly abbreviated as BPA, is an organic compound with two phenol functional groups. It is a difunctional building block of several important plastics and plastic additives. With an annual production of 2–3 million metric tonnes, it is an important monomer in the production of polycarbonate. It is a potential food contaminant arising from its use in reusable polycarbonate food containers such as water carboys, baby bottles and kitchen utensils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D004785 - Environmental Pollutants > D000393 - Air Pollutants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; EAWAG_UCHEM_ID 163 Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[1][2][3].
2E-Dodecenedioic acid
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Lindenenone
nabumetone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
Leucylproline
Leucylproline is a dipeptide composed of leucine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Nabumetone
Nabumetone is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid family (which includes diclofenac). Marketed under the brand name Relafen, it has been shown to have a slightly lower risk of gastrointestinal side effects than most other non-selective NSAIDs. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
(S)-Menthone 8-thioacetate
(S)-Menthone 8-thioacetate is present in Buchu leaf oil. (S)-Menthone 8-thioacetate is a flavouring ingredient. Present in Buchu leaf oil. Flavouring ingredient
11-Hydroxy-9-tridecenoic acid
11-Hydroxy-9-tridecenoic acid is found in fruits. 11-Hydroxy-9-tridecenoic acid is a constituent of Elaeagnus angustifolia (Russian olive) Constituent of Elaeagnus angustifolia (Russian olive). 11-Hydroxy-9-tridecenoic acid is found in fruits.
(S)-Curzeone
(S)-Curzeone is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
Isoleucylproline
Isoleucylproline is a dipeptide composed of isoleucine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411).
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid
5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid is found in milk and milk products. 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid is a possible latent butter aroma compoun
Menthone 1,2-glyceryl ketal
Menthone 1,2-glyceryl ketal, also known as menthone glycerin acetal or menthyl glycerin acetal, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. p-Menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthone 1,2-glyceryl ketal is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Menthone 1,2-glyceryl ketal is used as a food additive (EAFUS: Everything Added to Food in the United States). Menthone 1,2-glyceryl ketal is a flavour enhancer for chewing gum and other low moisture foods. Flavour enhancer for chewing gum and other low moisture foods
Menthyl lactate
Menthyl lactate is a flavouring ingredient. Flavouring ingredient
Menthone 1,3-glyceryl ketal
Menthone 1,3-glyceryl ketal is a flavouring ingredient especially for chewing gum. Flavouring ingredient especies for chewing gum
bis(Benzyloxy)methane
bis(Benzyloxy)methane belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene).
N,N,N-Trimethyl-L-alanyl-L-proline betaine
N,N,N-Trimethyl-L-alanyl-L-proline betaine (TMAP) belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. TMAP was previously an unknown potential plasma biomarker for glomerular filtration rate (GFR) but its structure has since been elucidated (PMID: 28706470). TMAP has also been identified as a potential plasma biomarker of reduced kidney function in early chronic kidney disease (CKD), end stage renal disease (ESRD), and hemodialytic clearance (PMID: 31048706).
Indalpine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
Mifentidine
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000726 - Androgen Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
(R)-Menthone 8-thioacetate
Flavour ingredient for various formulations (as mixture with the trans-form). Present in Buchu leaf oil
(E,E)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate
(E)-7-Hydroperoxy-3,7-dimethyl-, 3-acetate 1,5-octadien-3-ol
(1R,4S)-1-Hydroperoxy-p-menth-2-en-8-ol acetate
A p-menthane monoterpenoid that is p-menth-2-ene substituted by a hydroperoxy group at position 1 and an acetyloxy group at position 8 (the 1R,4S stereoisomer). Isolated from the leaves of Laurus nobilis, it exhibits trypanocidal activity.
RU 24969
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists RU 24969 is a preferential 5-HT1B agonist, with a Ki of 0.38 nM, but also displays appreciable affinity for the 5-HT1A receptor (Ki=2.5 nM), and has low affinity for other receptor sites in the brain. RU 24969 could decrease fluid consumption and increase forward locomotion[1].
(10S,12S)-10-hydroxy-12-methyl-1-oxacyclododecane-2,5-dione
1-acetoxy-5-hydroxy-6,7-epoxy-3,7-dimethyl-octa-2e-ene
4-hydroperoxy-2RS,3RS-isopropyliden-hex-5-en-1-ol acetate
(1RS,2SR,4SR,4aSR,8aSR)-decahydro-4a,8,8-trimethylnaphthalene-1,2,4-triol|japonicumin D
(E)-4-(4-hydroxybenzylidene)-3,3,5-trimethyl-1,5-hexadiene|nodosol
(3R,9R)-2,8-dioxo-1,7-diazacyclododecane-3,9-diamine
(1R,4S)-1-hydroperoxy-p-menth-2-en-8-ol acetate|2-((1S,4R)-4-hydroperoxy-4-methylcyclohex-2-en-1-yl)propan-2-yl acetate
trans-10-Acetoxy-2-decensaeure|trans-10-Acetoxy-dec-2-en-1-saeure|trans-10-Acetoxy-dec-2-ensaeure|trans-10-acetoxydec-2-enoic acid
7a,10a-dimethyl-5,6,8,9,10,10a-hexahydro-4H,7aH-pyrrolo[3,2:4,5]pyrrolo[3,2,1-ij]quinoline
(3S,4S,5S,6S,9S)-3,4-dihydroxy-5,6-dihydro-beta-ionol
2-hexylidene-3-methyl succinic acid 4-methyl ester
(E)-2-ethylidene-2,3,11,11a-tetrahydro-1Hbenzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine C
5-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylheptan-2-one
3-(E-3-hydroxy-3-methyl-but-1-enyl)-6-methylcyclohex-2-ene-1,4,6-triol|acremine F
9-methyl-1,2,3,4-tetrahydro-9H-9a,4a-[1]azapropano-carbazole
(2S*,5R*)-2,5-epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one|(2S*,5S*)-2,5-Epidioxy-2-hydroxy-5-isopropyl-3-nonen-8-one
Hexadeca-6,8,14-trien-10,12-diin-1-ol|Hexadeca-6t,8t,14t-trien-10,12-diin-1-ol|hexadeca-6t,8t,14t-triene-10,12-diyn-1-ol
(-)-(4E,7S)-7-methoxydodec-4-enoic acid|(4E,7S)-(-)-7-methoxydodec-4-enoic acid|(4E,7S)-7-methoxydodec-4-enoic acid
(6R,12S)-6-hydroxy-12-methyl-1-oxacyclododecane-2,5-dione
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
(7-hydroperoxy-3,7-dimethylocta-1,5-dien-3-yl) acetate
(-)-(3R,7R)-9,10-dihydro-11xi-hydroxyjasmonic acid
(2S,3S)-3-Methyl-2-((S)-pyrrolidine-2-carboxamido)pentanoic acid
Dodecenedioate (C12:1-DC)
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. Traumatic acid is a monounsaturated straight-chain dicarboxylic acid with the double bond at C-2; a plant wound-healing hormone. It has a role as a plant hormone. Traumatic acid is a natural product found in Meehania urticifolia with data available. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Dibutyl_maleate
Dibutyl maleate, the diester of the Maleic Acid, can be used as an intermediate of pharmaceutical synthesis. Dibutyl maleate can enhance contact sensitization to Fluorescein isothiocyanate in mice[1].
Menthyl lactate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.307
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol
Traumatic Acid
Traumatic acid is a monounsaturated dicarboxylic acid naturally ocurring in plants. The compound was first isolated from wounded bean plants by American chemists James English Jr. and James Frederick Bonner and Dutch scientist Aire Jan Haagen-Smit in 1939. Traumatic acid is a potent wound healing agent in plants ("wound hormone") that stimulates cell division near a trauma site to form a protective callus and to heal the damaged tissue. It may also act as a growth hormone, especially in inferior plants (e.g. algae). Traumatic acid is biosynthesized in plants by non-enzimatic oxidation of traumatin (12-oxo-trans-10-dodecanoic acid), another wound hormone. At normal conditions, traumatic acid is a solid, crystalized, water insoluble substance. [HMDB] Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2]. Traumatic Acid is a wound healing agent and a cytokinin (phytohormone). Traumatic Acid enhances the biosynthesis of collagen in cultured human skin fibroblasts. Traumatic Acid inhibits MCF-7 breast cancer cells viability and enhances apoptosis and oxidative stress. Traumatic Acid can be used in studies of cancer, circulatory disorders (including arterial hypertension), and skin diseases associated with oxidative stress and impaired collagen biosynthesis[1][2].
Indalpine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based: Match]
5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol [IIN-based on: CCMSLIB00000848981]
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based on: CCMSLIB00000845434]
3-(5,6-dihydroxyheptyl)-4-methyl-2H-furan-5-one [IIN-based: Match]
13-Methyl-4,4-Bisnor-8,11,13-Podocarpatrien-3-One_major
1H-Indole,3-(1-ethyl-3-pyrrolidinyl)-1-methyl-(9CI)
Propanedioic acid,2-ethyl-2-(2-propen-1-yl)-, 1,3-diethyl ester
1,4-Cyclohexanedicarboxylicacid, 1,4-diethyl ester
CYCLOHEXANE-1,2-DICARBOXYLICACIDMONO-TERT-BUTYLESTER
3-(DIMETHYLAMINO)-2-(3,4-DIMETHYLBENZOYL)ACRYLONITRILE
tert-butyl 5-oxa-2,8-diazaspiro[3.5]nonane-8-carboxylate
Tert-Butyl 4-Carbamimidoylpiperazine-1-Carboxylate
ethyl 1-(dimethylcarbamoyl)piperidine-2-carboxylate
2-Methyl-2-propanyl 9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxy latato
4-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-BUT-2-YNOIC ACID METHYL ESTER
2-(2-(1,3-Dioxolan-2-yl)ethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
(6S,2Z)-6,7-ISOPROPYLIDENEDIOXY-3,7-DIMETHYL-2-OCTEN-1-OL
N-(TRIMETHYLAMINE-BORANE-CARBONYL)PROLINE METHYL ESTER
2-TRIMETHYLSILYL-1-ETHYLBORONIC ACID PINACOL ESTER
(6S,2E)-6,7-Isopropylidenedioxy-3,7-dimethyl-2-octen-1-ol
1-(4-METHOXY-PHENYL)-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE
(1R,2S)-Diethyl cyclohexane-1,2-dicarboxylate
(S)-(-)-2-(Cyclohexylmethyl)succinic acid 1-methyl ester
tert-butyl (3S)-3-acetamidopyrrolidine-1-carboxylate
ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
4-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)-PHENYLAMINE
p-Mentha-8-Thiol-3-One Acetate
Vabicaserin
C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist C78272 - Agent Affecting Nervous System > C29728 - Anorexiant
5-(Phenylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
(R)-2-(CYCLOHEXYLMETHYL)SUCCINIC ACID-1-METHYL ESTER
tert-butyl 5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate
1,2,2-Trimethyl-1,3-cyclopentanedicarboxylic acid dimethyl ester
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
Silane, [(2E)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-butenyl]trimethyl- (9CI)
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
2-Pyrimidinecarbonitrile,4,6-dimethyl- (6ci,8ci,9ci)
tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate
(2R,3E,5S)-1,2-Dihydroxy-5-isopropyl-2-methyl-3-nonen-8-one
(2S,3E,5S)-1,2-Dihydroxy-5-isopropyl-2-methyl-3-nonen-8-one
(5S,6S,7R)-8-Hydroxy-5-isopropyl-8-methyl-6,7-epoxynonan-2-one
3,3,5-Trimethyl-8-isopropyl-4,9-dioxabicyclo[3.3.1]nonan-2-ol
(4S)-6-(2-Hydroxy-2-propyl)-4-isopropyl-1-methyl-7,8-dioxabicyclo[3.2.1]octane
(E)-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnon-2-one
1-Isopropyl-3-methyl-piperidin-4-ylamine dihydrochloride
Ethyl 8-Methyl-1,4-dioxa-spiro[4,5]decane-8-carboxylate
4,4,5,5-TETRAMETHYL-2-(PHENYLETHYNYL)-1,3,2-DIOXABOROLANE
5-Amino-1,6,6a,7,8,9-hexahydropyrrolidino[1,2-a]quinoline hydrochloride, tech.
2-ACETYL-8-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
N-(4,6-DIMETHYLPYRIMIDIN-2-YL)-N-METHYLBENZENE-1,4-DIAMINE
L-Ornithine, N5-(4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-
Silane, (2,3-dimethyl-2-butene-1,4-diyl)bis(trimethyl-, Z-
1,1,3,3-Tetramethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
2,4,5,7-Tetramethyl-1,2,3,4-tetrahydropyrimido[1,6-a]indole
1-(2-Amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid
(2S)-1-[(2S)-2-azaniumyl-4-methylpentanoyl]pyrrolidine-2-carboxylate
(2S)-4-methyl-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]pentanoate
(3S,4Z,6E,8R,9S)-3,9-dihydroxy-4,8-dimethyldeca-4,6-dienoic acid
(2E)-13-hydroxytridec-2-enoic acid
An omega-hydroxy fatty acid that is tridecanoic acid that has been dehydrogenated to introduce a trans double bond at the 2-3 position and in which one of the hydrogens attached to the terminal methyl group is replaced by a hydroxy group.
(2E,12R)-12-hydroxytridec-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-tridec-2-enoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.
2-[3-(2-Cyanopropan-2-yl)-5-hydroxyphenyl]-2-methylpropanenitrile
1-(2-Amino-3-methylpentanoyl)pyrrolidine-2-carboxylic acid
(1R,3S)-dimethyl 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
6-Methyl-3-propyl-1,2,3,4-tetrahydro-gamma-carboline
1,7-Trimethylene-2-methyl-3-(beta-aminopropyl)-indole
2-Formyl-5,7-dimethyl-1,2,3,4-tetrahydropyrimido[3,4-a]indole
8,9-Ethylene-4A,9A-dimethyl-1,2,3,4,4A,9A-hexahydropyrido(2,3-B)indole
Leu-Pro zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Leu-Pro.
phevalin
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 muM), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression.
N-decanoylglycinate
An N-acylglycinate that is the conjugate base of N-decanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
13-methyl-4,4-bisnorpodocarpa-8,11,13-trien-3-one
A tricyclic diterpenoidthat is 4a,7-dimethyl-3,4,4a,9,10,10a-hexahydrophenanthrene in which the methylene hydrogens at position 2 have been replaced by an oxo group.
dodecanedioate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of dodecanedioic acid; major species at pH 7.3.
SIRT1-IN-1
SIRT1-IN-1 is a selective SIRT1 inhibitor with an IC50 of 0.205 μM. SIRT1-IN-1 inhibits SIRT2 with an IC50 of 11.5 μM[1]. SIRT1-IN-1, a indole, is a cytomegalovirus (CMV) inhibitors and has antiviral activity[2].
4-[3,3-dimethyl-2-(prop-1-en-2-yl)penta-1,4-dien-1-yl]phenol
(3r,9r)-3,9-diamino-1,7-diazacyclododeca-1,7-diene-2,8-diol
(1r,2s)-2-{[(2r,2'r,3r,3's)-3'-[(1r)-1-hydroxybutyl]-[2,2'-bioxiran]-3-yl]methyl}cyclopropan-1-ol
n-[2-(hydroxyimino)-4-methylpentanoyl]-3-methylbutanimidic acid
(2r,5s,6r,8r)-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decane-6,8-diol
1-hydroxy-4-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethylcyclohexyl]butan-2-one
2-amino-4-methylpentanoyl pyrrolidine-2-carboxylate
5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
(3e,5r,6r,12r)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
8,9-dihydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
4-[(2r)-1,3,3-trimethylaziridin-2-yl]quinolin-2-ol
4,8-dihydroxy-12-methyl-1-oxacyclododec-5-en-2-one
(1s,4r)-1-[(3s)-3-hydroxybutyl]-2,6,6-trimethylcyclohex-2-ene-1,4-diol
(2s)-2-amino-5-[(4-hydroxy-5-methyl-1,5-dihydroimidazol-2-ylidene)amino]pentanoic acid
3-hydroxy-3-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)propanoic acid
(5z,7s,8r,10r)-7,8-dihydroxy-10-propyl-3,4,7,8,9,10-hexahydrooxecin-2-one
2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy]
{"Ingredient_id": "HBIN006222","Ingredient_name": "2-octen-1-ol,7-[(tetrahydro-2H-pyran-2-yl)oxy]","Alias": "NA","Ingredient_formula": "C13H24O3","Ingredient_Smile": "NA","Ingredient_weight": "228.33","OB_score": "34.08709571","CAS_id": "77758-38-4","SymMap_id": "SMIT05660","TCMID_id": "NA","TCMSP_id": "MOL003615","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-megastigmene-3,6,9-triol
{"Ingredient_id": "HBIN013307","Ingredient_name": "7-megastigmene-3,6,9-triol","Alias": "NA","Ingredient_formula": "C13H24O3","Ingredient_Smile": "CC1CC(CC(C1(C=CC(C)O)O)(C)C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13641","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
