Exact Mass: 206.09343299999998

CONFIDENCE standard compound; INTERNAL_ID 2499

Pyrequan

4-Hydroxy-3-prenylbenzoate

3-dimethylallyl-4-hydroxybenzoic acid

Benzyl 2-methyl-3-oxobutanoate

Ethyl trans-p-methoxycinnamate

Ethyl (2E)-3-(4-methoxyphenyl)-2-propenoate

Ethyl trans-p-methoxycinnamate is found in fats and oils. Ethyl trans-p-methoxycinnamate is a major constituent of oil of Kaempferia galanga (galangal (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1]. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1].

Pheneturide

1-[(C-hydroxycarbonimidoyl)imino]-2-phenylbutan-1-ol

C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics Same as: D01190

Aceteugenol

Phenol, 2-methoxy-4-(2-propen-1-yl)-, 1-acetate

Aceteugenol, also known as eugenol acetate, belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Aceteugenol is an extremely weak basic (essentially neutral) compound (based on its pKa). Aceteugenol is a sweet-, carnation-, and clove-tasting compound. Outside of the human body, aceteugenol is found, on average, in the highest concentration in a few different foods, such as cloves, Ceylon cinnamons, and sweet bay. Aceteugenol has also been detected, but not quantified in, several different foods, such as nutmegs, herbs and spices, cumins, star anises, and lemon balms. This could make aceteugenol a potential biomarker for the consumption of these foods. Aceteugenol is a flavouring agent found in Caraway, oil of clove (Syzygium aromaticum), cinnamon leaf (Cinnamomum verum), and other essential oils. Flavouring agent. Found in oil of clove (Syzygium aromaticum), cinnamon leaf (Cinnamomum verum) and other essential oils Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata. Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata.

2-(5-Fluoropentyl)-2-methylmalonic acid

C9H15FO4 (206.09543219999998)

Isoeugenyl acetate

Phenol, 2-methoxy-4-(1E)-1-propen-1-yl-, 1-acetate

Isoeugenol acetate is a phenylpropanoid that is the acetate ester of trans-isoeugenol. It is a phenylpropanoid, a monomethoxybenzene and a member of phenyl acetates. It is functionally related to a trans-isoeugenol. Isoeugenyl acetate is a natural product found in Valeriana officinalis with data available. Isoeugenyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2]. Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2].

(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol

(2RS,5SR)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol is found in herbs and spices. (2RS,5SR)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol is a constituent of Cinnamomum cassia (Chinese cinnamon)

2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one

2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms. 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is isolated from the mushroom Lentinus crinitus (palatability not certain). Isolated from the mushroom Lentinus crinitus (palatability not certain). 2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one is found in mushrooms.

Verimol I

(2E)-3-(4-Methoxyphenyl)prop-2-en-1-yl acetic acid

Verimol I is found in fruits. Verimol I is a constituent of Illicium verum (Chinese staranise) Constituent of Illicium verum (Chinese staranise). Verimol I is found in fruits.

Cuelure

2-Butanone, 4-(P-hydroxyphenyl)-, acetate

Cuelure is a flavour ingredient. Flavour ingredient

Threonylserine

(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanoic acid

Threonylserine is a dipeptide composed of threonine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

Serylthreonine

(2S,3R)-2-{[(2S)-2-amino-1,3-dihydroxypropylidene]amino}-3-hydroxybutanoate

Serylthreonine is a dipeptide composed of serine and threonine. 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.

Phenylmethylglycidic ester

alpha,beta-Epoxy-beta-methylhydrocinnamic acid, ethyl ester

Phenylmethylglycidic ester is a fragrance used in foo

Isoeugenol acetate

2-Methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetic acid

C7H15ClN4O (206.09343299999998)

Isoeugenol acetate is a flavouring ingredient. Flavouring ingredient

2,4,6-Triethyl-1,3,5-oxadithiane

C9H18OS2 (206.0799018)

2,4,6-Triethyl-1,3,5-oxadithiane is a constituent of onion like flavouring produced by reaction of H2S with propanal. Constituent of onion like flavouring produced by reaction of H2S with propanal

Arginine chloromethyl ketone

N-(4-amino-6-chloro-5-oxohexyl)guanidine

D009676 - Noxae > D000477 - Alkylating Agents > D000590 - Amino Acid Chloromethyl Ketones

1-Methyl-2-(2-thiophen-2-ylethenyl)-5,6-dihydro-4H-pyrimidine

1-methyl-2-[2-(thiophen-2-yl)ethenyl]-1,4,5,6-tetrahydropyrimidine

2-(5-Fluoropentyl)-2-methylmalonic acid

2-(5-fluoropentyl)-2-methylpropanedioic acid

C9H15FO4 (206.09543219999998)

(2S)-2-Amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid

(2S,3R)-2-Amino-3-[(2S)-2-amino-3-hydroxypropanoyl]oxybutanoic acid

Valencic acid

4-[(3-methylbut-2-en-1-yl)oxy]benzoic acid

Valencic acid, also known as valencate, is a member of the class of compounds known as benzoic acids. Benzoic acids are organic Compounds containing a benzene ring which bears at least one carboxyl group. Valencic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Valencic acid can be found in sweet orange, which makes valencic acid a potential biomarker for the consumption of this food product.

Ethyl trans-p-methoxycinnamate

2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2E)-

Ethyl trans-p-methoxycinnamate is found in fats and oils. Ethyl trans-p-methoxycinnamate is a major constituent of oil of Kaempferia galanga (galangal Ethyl p-methoxycinnamate is a natural product found in Hedychium spicatum and Kaempferia galanga with data available. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1]. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1].

Ethyl trans-p-methoxycinnamate

2-Propenoic acid, 3-(4-methoxyphenyl)-, ethyl ester, (2E)-

Vibralactone C

(-)-Vibralactone C

2-Methoxy-6-prenyl-1,4-benzoquinone

Maybridge1_007197

C11H11FN2O (206.0855368)

Ethyl 2-methyl-3-phenyloxirane-2-carboxylate

N1-(2-Cyano-3-fluorophenyl)-N1-methylethanimidohydrazide

C10H11FN4 (206.0967698)

2-(1-methyl-1-hydroxyethyl)-5-methoxybenzo[b]furan

NCGC00183925-01

Donaxaridine

1(3H)-Isobenzofuranone, 3-butyl-7-hydroxy-

Ethyl (E)-3-(2-methoxyphenyl)acrylate

3-butyl-5-methoxyphthalate|5-methoxy-3-propylphthalide

SCHEMBL16431179

(S)-3-((S,E)-5-hydroxyhept-3-en-6-yn-1-yl)-5-methylfuran-2(5H)-one|trocheliophorolide B

methyl p-ethoxycinnamate

Tabtoxinine

Valencic acid

4-(3-methylbut-2-enoxy)benzoic acid

1-O-methylterricolyne

SCHEMBL17867112

9-Hydroxy-Ligustilide|senkyunolide E|senkyunolide F|senkyunolide-F

5-(3-hydroxypropyl)-7-methoxybenzofuran

Acremine D

Trisnorbrodolide

2-pentanoylbenzoic acid

2,4-dihydroxy-5-methyl-5,8-epoxy-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene|bruguierol C

2,2-dimethylchroman-6-carboxylic acid

(E)-4-(4-hydroxy-3-methylbut-2-enyloxy)benzaldehyde

(+)-(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one|phomochromone A

(3R)-8-Hydroxy-3r,4t,5-trimethyl-3,4-dihydro-isochromen-6-on|(3R)-8-hydroxy-3r,4t,5-trimethyl-3,4-dihydro-isochromen-6-one|decarboxycitrinin

2,3-dihydro-6,6-dimethylbenzo[b][1,5]dioxocin-4(6H)-one

phenylethyl malonamide

2,5-Dimethoxy-4-isopropenylbenzaldehyde

SCHEMBL17866915

(R)-6-<(1Z,3E)-5-oxo-1,3-heptadienyl>-5,6-dihydro-2H-pyran-2-one|5-Ketone-5,6-Dihydro-6-(5-hydroxy-1,3-heptadienyl)-2H-pyran-2-one

1,2,3,3a,4,9-Hexahydropyrrolo[2,1-b]quinazoline-3,3a-diol

(E)-4-hydroxy-3-methyl-2-butenyl benzoate|(E)-4-hydroxy-3-methylbut-2-enyl benzoate|4-Benzoyl-2-Methyl-2-butene-1,4-diol

1941-09-9

3,5-dimethyl-8-methoxy-3,4-dihydroisocoumarin

1H-2-Benzopyran-1-one, 3,4-dihydro-8-hydroxy-3,5,7-trimethyl-

p-Mentha-1,3,5,8(10)-tetraene-3,9-diol 9-acetate

2,3-Dihydro-3-hydroxy-5-hydroxymethyl-2-isopropenylbenzofuran

6-methylthiohexylthiourea

C8H18N2S2 (206.0911348)

8-methoxy-2,2-dimethyl-2H-chromen-6-ol

3-Hydroxy-2-methyl-5-(3-methyl-2-butenyl)-1,4-benzoquinone

2,3-dihydroxy-5-methyl-5,8-epoxy-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene|bruguierol B

(E)-2-methoxycinnamyl acetate|methyl (E)-4-(2-methoxyphenyl)-3-butenoate

6-hydroxymethyl-2,2-dimethylchromanone

2,6-Diamino-3-hydroxyheptanedioic acid

5-methoxy-6-hydroxytremetone

Me ether,Me ester-3-(4-Hydroxy-2-vinylphenyl)propanoic acid

3-butyl-4-hydroxy-3H-2-benzofuran-1-one

OUKVSYNLCDYHEH-UHFFFAOYSA-

2-Methyl-5,7-dimethoxy-2H-1-benzopyran

1-(2-hydroxy-5-methoxyphenyl)-3-methylbut-2-en-1-one

(Z)-6,7-Epoxy-6,7-dihydroligustilide|(Z)-6,7-epoxyligustilide

Aceteugenol

InChI=1/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H

Aceteugenol, also known as eugenol acetate, belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group. Aceteugenol is an extremely weak basic (essentially neutral) compound (based on its pKa). Aceteugenol is a sweet-, carnation-, and clove-tasting compound. Outside of the human body, aceteugenol is found, on average, in the highest concentration in a few different foods, such as cloves, Ceylon cinnamons, and sweet bay. Aceteugenol has also been detected, but not quantified in, several different foods, such as nutmegs, herbs and spices, cumins, star anises, and lemon balms. This could make aceteugenol a potential biomarker for the consumption of these foods. Aceteugenol is a flavouring agent found in Caraway, oil of clove (Syzygium aromaticum), cinnamon leaf (Cinnamomum verum), and other essential oils. Acetyleugenol is a member of phenols and a benzoate ester. Acetyleugenol is a natural product found in Myrtus communis, Illicium verum, and other organisms with data available. See also: Clove Oil (part of). Flavouring agent. Found in oil of clove (Syzygium aromaticum), cinnamon leaf (Cinnamomum verum) and other essential oils Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata. Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata.

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

NCGC00385936-01!4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid

pyrantel

P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents > P02CC - Tetrahydropyrimidine derivatives D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YSAUAVHXTIETRK-AATRIKPKSA-N_STSL_0148_Pyrantel_0031fmol_180418_S2_LC02_MS02_13; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid_61.1\\%

4-hydroxy-3-(3-methylbut-2-enyl)benzoic acid_major

1-(pyridin-2-yl)isoquinoline

Thr Ser

Ser Thr

Ser-THR

2-(2-amino-3-hydroxybutanamido)-3-hydroxypropanoic acid

THR-Ser

2-(2-amino-3-hydroxypropanamido)-3-hydroxybutanoic acid

A dipeptide formed from L-threonine and L-serine residues.

,&beta

2-Oxiranecarboxylic acid, 3-methyl-3-phenyl-, ethyl ester

2-[(E)-2-phenylethenyl]-1,3-dioxan-5-ol

(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol

Acetisoeugenol

Phenol, 2-methoxy-4-(1-propen-1-yl)-, 1-acetate

Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2]. Isoeugenol acetate (Acetyl isoeugenol), an essential oil constituent of nutmeg, clove, and cinnamon, shows excellent inhibitory effects against some metabolic enzymes such as acetylcholinesterase (AChE) enzymes (IC50=77 nM; Ki=16 nM), α-glycosidase (IC50=19.25 nM; Ki=21 nM), and α-amylase (IC50=411.5 nM). Isoeugenol acetate is used medical and cosmetics industries for its antioxidant, anticancer, antimicrobial and anti-inflammatory properties[1][2].

Cuelure

2-Butanone, 4-(P-hydroxyphenyl)-, acetate

Isoeugenol acetate

2-methoxy-4-[(1Z)-prop-1-en-1-yl]phenyl acetate

Verimol I

(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl acetate

2,4,6-Triethyl-1,3,5-oxadithiane

C9H18OS2 (206.0799018)

6-Methoxy-2,2-dimethyl-4-chromanone

2,3-Dihydro-6-methoxy-2,2-dimethyl-4H-1-benzopyran-4-one

4-Hydroxy-3-(3-methyl-2-buten-1-yl)benzoic acid

1-(PYRIDIN-2-YL)PIPERIDINE-4-CARBOXYLIC ACID

methyl 3-hydroxy-3-phenylcyclobutane-1-carboxylate

2-(3-Chloropropyl)-2,5,5-trimethyl-1,3-dioxane

3-cyclopropyl-3-(3-hydroxyphenyl)propanoic acid

3,4,5,6-Tetrahydro-2H-[1,2]bipyridinyl-3-carboxylic acid

methyl 6-(1-pyrrolidinyl)nicotinate

6,7-Dimethoxy-2-tetralone

1-(2-ETHOXYETHYL)-1H-BENZO[D]IMIDAZOL-2(3H)-ONE

4,5-DIMETHOXY-2-METHYL-INDAN-1-ONE

C6H15BF4S (206.09235879999997)

triethylsulphonium tetrafluoroborate(1-)

1-ETHYL-3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE

8-METHOXY-1,2,3,4-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID

Tiquinamide

6-HYDROXY-1-PHENYL-1,3-HEXANEDIONE

ethyl 2-(2,5-dimethylphenyl)-2-oxoacetate

ETHYL 3,4-DIMETHYLBENZOYLFORMATE

6,7-Dimethoxy-1-tetralone

N,N-Diethyl-1,3-benzothiazol-2-amine

3-(7-Methoxy-1-benzofuran-5-yl)-1-propanol

Pyrido[3,2-e]-as-triazine-7-carboxylic acid, 1,2-dihydro-3-methyl-, methyl ester (8CI)

Pyrido[3,2-e]-as-triazine-6-carboxylic acid, 1,2-dihydro-3-methyl-, methyl ester (8CI)

4,4-dimethyl-2,3-dihydrochromene-6-carboxylic acid

2,2-DIMETHYL-7-METHOXY-4-CHROMANONE

1-phenylphthalazine

3,5-dimethyl-4-prop-2-enoxybenzoic acid

4-NITRO-1,3-BENZOTHIAZOL-2-AMINE

Toluene diisocyanate,hydrazine polymer

2-Amino-4,5,6,7,8,9-hexahydrocycloocta-[b]thiophene-3-carbonitrile

2-BENZO[1,3]DIOXOL-5-YL-PIPERAZINE

2-(Cyclopentylamino)nicotinic acid

2-piperidin-1-ylpyridine-3-carboxylic acid

Benzenehexanoic acid, e-oxo-

4-DIETHYLAMINOPHENYL ISOTHIOCYANATE

Pentanoic acid,4-(2-phenylhydrazinylidene)-

3-AMINO-4-CYCLOBUTYL-2-OXOBUTANAMIDE HYDROCHLORIDE

C8H15ClN2O2 (206.0822)

2-(ISOPROPYLSULFANYL)-4,6-DIMETHYLNICOTINONITRILE

2-Piperazin-1-yl-benzoic acid

Ethyl 3-oxo-4-phenylbutanoate

methyl 4-(4-methylphenyl)-4-oxo-butanoate

5-(4-METHYLPHENYL)-5-OXOVALERIC ACID

3-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER

4-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER

Isotiquimide

C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent

Pyrido[3,2-d][1,3]oxazepine, 4-ethoxy-4,5-dihydro-2-methyl- (9CI)

2,3,3-Trimethyl-5-nitroindoline

4-(4-Nitrophenyl)piperidine

9H-Purine-6-aceticacid, ethyl ester

1-(4-Nitrophenyl)piperidine

3-(Benzyloxy)cyclobutanecarboxylic acid

CHLOROFORMIC ACID N-NONYL ESTER

N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide

Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate

Benzaldehyde, 3-ethoxy-4-(2-propenyloxy)- (9CI)

Methyl 5-methoxy-2,3-dihydro-1H-indene-2-carboxylate

5,6-Dimethoxy-3-methyl-1-indanone

5,7-Dimethoxy-3-methyl-1-indanone

Methyl 3-amino-4-(cyclopropylamino)benzoate

2-(4-Methoxyphenyl)tetrahydro-4H-pyran-4-one

5,8-Dimethoxy-2-tetralone

5-Piperidin-1-ylnicotinic acid

Benzyl 3-amino-1-azetidinecarboxylate

ethyl 3-oxo-3-m-tolylpropanoate

Pentamethylacetoxydisiloxane

C7H18O3Si2 (206.0794438)

1-(6-morpholin-4-ylpyridin-3-yl)ethanone

Methyl 7-amino-2-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

METHYL 6-AMINO-3,4-DIHYDRO-1(2H)-QUINOLINECARBOXYLATE

DIMETHYLAMINO-P-TOLYL-ACETIC ACID

METHYL-(4-METHYL-FURAZAN-3-YLMETHYL)-AMINE HYDROCHLORIDE

4-Phenyltetrahydro-2H-pyran-4-carboxylic acid

2-Methoxy-6-(pyrrolidin-1-yl)nicotinaldehyde

3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoic acid

(2R)-2-[(4-NITROPHENYL)AMINO]PROPANOICACID

1-(2-Methyl-4-nitrophenyl)pyrrolidine

3-(CYCLOPENTYLOXY)BENZOIC ACID

(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-4-INDANYLAMINE

2-Benzothiazolamine,N-(2-methylpropyl)-(9CI)

5,6-Dimethoxy-2-methyl-1-indanone

N(1),N(3)-diallyl-6-methyluracil

p-Methoxycinnamic acid ethyl ester

Propanoic acid,2-[(2,3-dihydro-1H-inden-5-yl)oxy]-

3-oxo-4-m-tolyl-butyric acid methyl ester

Ethyl 2-benzoylpropanoate

METHYL 5-HEX-1-YNYL-2-FUROATE

1-(PYRIDIN-4-YL)PIPERIDINE-4-CARBOXYLIC ACID

p-nitrobenzylidene tert-butylamine

Ethyl 3-(3-oxopropyl)benzoate

1-(BENZO[D][1,3]DIOXOL-4-YL)PIPERAZINE

(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YLMETHYL)-HYDRAZINE

4-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde

3-(5-acetyl-2-methoxy-phenyl)propanal

3-(2H-[1,2,4]TRIAZOL-3-YL)-BENZOIC ACID

Thiourea,N-cyclopropyl-N-(phenylmethyl)-

2-(2-OXO-PROPYL)-BENZOIC ACID ETHYL ESTER

ethyl para-methyl-beta-phenyl glycidate

furofenac

1-(2-methoxyphenyl)cyclobutane-1-carboxylic acid

2-ALLYLOXY-PHENOXYMETHYLOXIRANE

(4R)-4-[(Benzyloxy)methyl]dihydro-2(3H)-furanone

methyl 4-hydroxy-3-(2-methylprop-1-enyl)benzoate

1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLIC ACID METHYL ESTER

2,5-DIACETAMIDOTOLUENE

ethyl 3-oxo-3-p-tolylpropanoate

4-(1-Piperazinyl)benzoic acid

4-(cyclopropylmethoxy)-3-methylbenzoic acid

2-amino-5-mercapto-1,3,4-thiadiazole

6-PIPERIDINOPYRIDINE-2-CARBOXYLIC ACID

Dimezone S

Ac-L-Phe-NH2

1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBOXYLIC ACID

4-Propoxycinnamic acid

4-(3,4-dimethylphenyl)-4-oxo-butanoate

Piperidine,1-(2-nitrophenyl)-

Benzyl 3-hydroxycyclobutanecarboxylate

6-amino-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5,10-Dihydroindolo[3,2-b]indole

6-Piperidinonicotinic acid

methyl 4-methoxy-2,3-dihydro-1H-indene-2-carboxylate

3-PIPERIDINOPYRIDINE-2-CARBOXYLIC ACID

C8H18O4Si (206.09743079999998)

1,1-dimethylsila-11-crown-4

7-HYDROXY-2,2,5-TRIMETHYL-2,3-DIHYDRO-4H-CHROMEN-4-ONE

N-(3-Formyl-4-pyridinyl)-2,2-dimethylpropanamide

2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid

2-(benzylthio)-1,4,5,6-tetrahydropyrimidine

3-Buten-2-one,4-(3,4-dimethoxyphenyl)-

6-methoxy-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid

2-(Tetrahydro-2H-pyran-4-yloxy)benzaldehyde

Chroman-2-carboxylic acid ethyl ester

1H-INDENE-1-ACETIC ACID, 2,3-DIHYDRO-5-METHOXY-

Benzyl 3-azetidinylcarbamate

[(2R)-3-oxopentan-2-yl] benzoate

4-(AMINOMETHYL)-1-(4-FLUOROPHENYL)-1H-PYRAZOL-5-AMINE

C10H11FN4 (206.0967698)

1-(4-AMINO-2,5-DICHLORO-PHENYL)-ACETICACID

Quinoline, 1,2,3,4-tetrahydro-4,4-dimethyl-7-nitro-

4-(3,5-DIMETHYLPHENYL)-4-OXOBUTYRIC ACID

2-phenylquinoxaline

prenyl salicylate

(4-HYDROXYPHENYL)PIPERAZIN-1-YL-METHANONE

(2-AMINO-PHENYL)-MORPHOLIN-4-YL-METHANONE

1-(3-METHOXY-PHENYL)-PIPERAZIN-2-ONE

2-Methylpropanethioamide

C8H18N2S2 (206.0911348)

1-(4-hydroxyphenyl)cyclopentane-1-carboxylic acid

4,7-Dimethoxy-3-methyl-1-indanone

1-BUTYL-1H-BENZOIMIDAZOLE-2-THIOL

5,6-DIMETHOXY-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE

2-chloro-N-(2-morpholin-4-ylethyl)acetamide

C8H15ClN2O2 (206.0822)

3-Methyl-5-oxo-5-phenylpentanoic acid

Ethyl 7-aminopyrazolo[1,5-a]pyrimidine-6-carboxylate

Ethyl methylphenylglycidate

ethyl 3-oxo-3-o-tolylpropanoate

2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid

METHYL (5-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)ACETATE

2-PIPERIDIN-1-YLISONICOTIC ACID 972-PIPERIDIN-1-YLPYRIDIN-4-YLCARBOXYLIC ACID

Benzaldehyde, 3-ethoxy-4-hydroxy-5-(2-propenyl)- (9CI)

2-Methyl-2-propanyl 3-formylbenzoate

ethyl 4-hydroxy-2,3-dihydro-1H-indene-2-carboxylate

2,2-DimethylchroMan-8-carboxylic acid

1H-Benzimidazole-5-carboxylicacid,2-hydrazino-1-methyl-(9CI)

1-(2-Methoxy-phenyl)-piperazin-2-one

6-Benzofurancarboxaldehyde,5-ethoxy-2,3-dihydro-2-methyl-(9CI)

Octanoic acid,8-chloro-, ethyl ester

Ethyl 3-(4-methoxyphenyl)acrylate

1-(3-METHOXYPHENYL)CYCLOBUTANECARBOXYLIC ACID

3-ALLYL-4,5-DIMETHOXY-BENZALDEHYDE

2-Butyl-7-chloro-1H-indene

C13H15Cl (206.086222)

(4-AMINO-PHENYL)-MORPHOLIN-4-YL-METHANONE

5,8-Dimethoxytetralone

3-(4-Carboethoxy)phenyl propanal

Acetic acid, 2-chloro-,1-methylheptyl ester

N-Butyl-3-cyano-6-hydroxy-4-methyl-2-pyridone

Oxirane,2-[[2-(2-propen-1-yloxy)phenoxy]methyl]-

6-methoxyindan-1-acetic acid

(2S)-2-HYDROXY-2-METHYL-3-PHENYLPROPANOICACID

(S)-[2-(Benzyloxy)propylidene]hydrazinecarboxaldehyde

Methyl 4-benzoylbutyrate

Methyl 5-oxo-5-phenylpentanoate

1-(6-Amino-5-methoxyindolin-1-yl)ethanone

6,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-one

1-(benzo[d][1,3]dioxol-5-yl)pentan-1-one

4-tert-Butyl-2,6-diformylphenol

Tetrahydrofurfuryl benzoate

METHYL 1-(3-HYDROXYPHENYL)CYCLOBUTANECARBOXYLATE

4-(4-Oxobutyl)benzoic acid methyl ester

4-pentanoylbenzoic acid

Pentanoic acid, 4-oxo-,phenylmethyl ester

[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanol

C11H11FN2O (206.0855368)

1-(3-Nitrophenyl)piperidine

4,7-Dimethoxy-2-methyl-1-indanone

7-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid

2-(2,3-dihydro-1H-inden-5-yloxy)acetohydrazide

4-phenylcinnoline

Benzenebutanoic acid,2,4-dimethyl-g-oxo-

Benzenebutanoic acid, 2,5-dimethyl-.gamma.-oxo-

1-[2-(Cyclopropylmethoxy)-6-hydroxyphenyl]ethanone

[(2S)-3-oxopentan-2-yl] benzoate

2-(HYDROXY-P-TOLYL-METHYL)-ACRYLIC ACID METHYL ESTER

2-Benzothiazolamine,6-(1-methylpropyl)-(9CI)

3-Pyridinyl(1-pyrrolidinyl)acetic acid

(S)-N-(1-Amino-1-oxobutan-2-yl)-4-chlorobutanamide

C8H15ClN2O2 (206.0822)

4-(Tetrahydro-2H-pyran-4-yl)benzoic acid

5-(3-METHYLPHENYL)-5-OXOVALERICACID

5-(2-METHYLPHENYL)-5-OXOVALERICACID

3-(2-methoxyphenyl)piperazin-2-one

ETHYL 4-ETHYLBENZOYLFORMATE

Ethyl 2-oxo-4-phenylbutyrate

Ethyl 2-oxo-4-phenylbutanoate

Benzeneacetic acid, 4-(aminoiminomethyl)-, ethyl ester

methyl 4-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate

bis(trimethylsilylmethyl) sulfide

C8H22SSi2 (206.0980692)

N-(6-FORMYLPYRIDIN-2-YL)PIVALAMIDE

2-((4-(ALLYLOXY)PHENOXY)METHYL)OXIRANE

4-Azido-L-phenylalanine

1-(4-Methoxyphenyl)cyclobutanecarboxylic acid

4,5-dihydroxy-1,3-bis(methoxymethyl)imidazolidin-2-one

3-(1-Piperazinyl)benzoic acid

2-Benzothiazole ethanamine,alpha,alpha-dimethyl-(9CI)

8-Chlorooctyl acetate

2-Propanone,1-[1-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazol-3-yl]-

9-hydroxy-2-methyl-3-vinyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one

ethyl 3-(3-Methylphenoxy)prop-2-enoate

benzyl cis-3-hydroxycyclobutanecarboxylate

methyl 2-(3-oxobutyl)benzoate

1H-Imidazole,2,3-dihydro-1,3-dimethyl-2-[(1E)-2-(2-thienyl)ethenyl]-(9CI)

2-(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetic acid

3-(4-Nitrophenyl)piperidine

5-AMINO-2-METHOXYPYRIDINE-4-CARBOXYLICACID

5-(2-METHOXY-ETHOXY)-INDAN-1-ONE

N-(4-Formyl-3-pyridinyl)-2,2-dimethylpropanamide

(4-(5-OXOPYRAZOLIDIN-3-YL)PHENYL)BORONIC ACID

C9H11BN2O3 (206.0862686)

2-Benzothiazolamine,N-butyl-(9CI)

1,2,3,4-Tetrahydro-7-methoxy-1-naphthalenecarboxylic acid

4-Diethoxymethyl-pyridine-2-carbonitrile

4-(Pyrrolidin-3-yloxy)benzamide

2-Aminopyrazolo[1,5-a]pyrimidine-3-carboxylic acid ethyl ester

1-(1,1-DIOXIDOTETRAHYDROTHIEN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE

1-(4-AMINOMETHYL-BENZYL)-PIPERIDIN-4-OL

5,6-DIMETHOXY-2-TETRALONE

4-(2-NAPHTHYLOXY)ANILINE HYDROCHLORIDE

ETHYL 3,5-DIMETHYLBENZOYLFORMATE

2-(5-methoxy-2,3-dihydro-1H-inden-2-yl)acetic acid

Pyrimidine, 4-(2-butynyloxy)-6-(1-methylethoxy)- (9CI)

2-Methyl-2-propanyl 4-formylbenzoate

1-Ethyl-7-nitro-1,2,3,4-tetrahydroquinoline

CHROMAN-3-CARBOXYLIC ACID ETHYL ESTER

2-PHENOXYETHYL METHACRYLATE

2-(7-METHYLINDAN-4-YLOXY)ACETIC ACID

3-(4-ethylbenzoyl)propionic acid

(2E)-3-(4-Isopropoxyphenyl)acrylic acid

3-Cyclopropylmethoxy-4-methoxybenzaldehyde

1-(PYRIDIN-3-YL)PIPERIDINE-4-CARBOXYLIC ACID

2-Benzothiazolamine,N-methyl-6-(1-methylethyl)-(9CI)

methyl 2-hydroxy-5,6,7,8-tetrahydronaphthalene-1-carboxylate

1-(4-METHOXY-PHENYL)-PENTANE-1,4-DIONE

3-Cyclopropyl-3-(4-hydroxyphenyl)propanoic acid

4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid

Phenol, 2-methoxy-4-(1-propenyl)-, acetate, (Z)-

5-(3,4-dimethoxyphenyl)-2H-tetrazole

3-(2-Aminoethyl)-6-methoxy-1H-indol-5-ol

6-Hydroxy-5,7,8-trimethyl-chroman-2-one

C9H14N4Si (206.09876839999998)

6-Methyl-9-(trimethylsilyl)-9H-purine

Pheneturide

Ethylphenacemide

6Z-0282

(E)-3-(4-methoxyphenyl)prop-2-enoic acid ethyl ester

(E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1]. (E)-Ethyl p-methoxycinnamate is a natural product found in Kaempferia galangal with anti-inflammatory, anti-neoplastic and anti-microbial effects. (E)-Ethyl p-methoxycinnamate inhibits COX-1 and COX-2 in vitro with IC50s of 1.12 and 0.83 μM, respectively[1].

Aceteugenol

InChI=1\C12H14O3\c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3\h4,6-8H,1,5H2,2-3H

Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata. Eugenol acetate (Eugenyl acetate), a major phytochemical constituent of the essential oil exhibits antibacterial, antioxidant, and anti-virulence activities. Eugenol acetate (Eugenyl acetate), a phytochemical in clove essential oil, against clinical isolates of Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata.

93-29-8

acetic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester

2-[(2-Amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoic acid

(2S)-2-acetamido-3-phenylpropanoate

(1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-1,2,3,4,5,6,7,8-octahydropyrrolizin-4-ium-1,2,6,7-tetrol

C8H16NO5+ (206.1028426)

N-hydroxy-L-trihomomethionine

C8H16NO3S- (206.0850846)

3-Hydroxy-(meso-2,6-diaminopimelic acid)

(2R,3S,6S)-2,6-diamino-3-hydroxyheptanedioic acid

2-Amino-6-(hydroxyamino)heptanedioic acid

(2R,3S,6S)-2,6-diamino-3-hydroxy-diaminopimelate

(2S,3R,6S)-2,6-diamino-3-hydroxydiaminopimelate

Meso-diamino-3-hydroxypimelate

2-(3-Phenylpropanamido)acetate

2-[(3-oxo-3-Phenylpropyl)amino]acetate

(2S,6S)-2,6-diamino-3-hydroxyheptanedioic acid

H-THR-Ser-OH

(2S)-2-Amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid

(2S,3R)-2-Amino-3-[(2S)-2-amino-3-hydroxypropanoyl]oxybutanoic acid

5-Chlorooctyl acetate

An acetate ester that is octyl acetate substituted by a chloro group at position 5.

Serinylthreonine zwitterion

(2R)-2-acetamido-3-phenylpropanoate

3-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-5-methyl-4H-1,2,4-triazol-4-amine

C8H10N6O (206.09160500000002)

N-hydroxytrihomomethioninate

C8H16NO3S- (206.0850846)

Conjugate base of N-hydroxytrihomomethionine.

1-Benzyl-2-methylsulfanyl-4,5-dihydroimidazole

3-(2-Aminoethyl)-7-methoxy-1H-indole-5-ol

1-(2-Pyridinyl)isoquinoline

C8H18O4Si (206.09743079999998)

Trimethylsilyl 2-(2-methoxyethoxy)acetate

4-Chloro-4-methyl-2-trimethylsiloxypentene

C9H19ClOSi (206.08936339999997)

Phenylethylmalonamide

2-Ethyl-2-phenylmalonamide

4-Hydroxy-3-prenylbenzoate

3-Dimethylallyl-4-hydroxybenzoate

Diethyl tartrate

Diethyl DL-Tartrate

C8H14O6 (206.0790344)

6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one

Serinylthreonine

(2RS,5RS)-(E)-2-(2-Phenylethenyl)-1,3-dioxan-5-ol

Thr-Ser zwitterion

A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-threonyl-L-serine; major species at pH 7.3.

N-acetyl-D-phenylalaninate

C11H12NO3 (206.0817142)

An N-acyl-D-alpha-amino acid anion that is the conjugate base of N-acetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3.

4-Hydroxy-3-prenylbenzoic acid

A natural product found in Rubia yunnanensis.

3-dimethylallyl-4-hydroxybenzoic acid

A monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3.

N-acetyl-L-phenylalaninate

C11H12NO3 (206.0817142)

The conjugate base of N-acetyl-L-phenylalanine; major species at pH 7.3.

Dihydro-methoxydimethyl-4H-benzopyranone

2-(2-phenylethenyl)-1,3-dioxan-5-ol

(3ar,7s,8as)-7-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-carbaldehyde

(2s)-2-{[(2s,3r)-2-amino-1,3-dihydroxybutylidene]amino}-3-hydroxypropanoic acid

6-(2-hydroxyethyl)-5,7-dimethyl-3h-2-benzofuran-1-one

(3e)-4-(4-hydroxy-3-methoxyphenyl)-3-methylbut-3-en-2-one

1-(4-methoxyphenyl)prop-2-en-1-yl acetate

(3s,3as)-1h,2h,3h,4h,9h-pyrrolo[2,1-b]quinazoline-3,3a-diol

4-hydroxy-3-methylbut-2-en-1-yl benzoate

5-(2-hydroxy-4-methylphenyl)-5-methyloxolan-2-one

(2e)-4-hydroxy-3-methylbut-2-en-1-yl benzoate

(2s)-1-[4-(methoxymethyl)phenoxy]but-3-yn-2-ol

5-(hydroxymethyl)-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-ol

5-(2-methylphenyl)-5-oxopentanoic acid

(2r)-7-hydroxy-2,6,8-trimethyl-2,3-dihydro-1-benzopyran-4-one

3-hydroxy-2-methyl-5-(3-methyl-2-butenyl)-benzo-1,4-quinone

{"Ingredient_id": "HBIN008640","Ingredient_name": "3-hydroxy-2-methyl-5-(3-methyl-2-butenyl)-benzo-1,4-quinone","Alias": "NA","Ingredient_formula": "C12H14O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10507","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5,7-Dimethoxy lavanone

{"Ingredient_id": "HBIN011323","Ingredient_name": "5,7-Dimethoxy lavanone","Alias": "NA","Ingredient_formula": "C12H14O3","Ingredient_Smile": "COC1=C(C=C2C(=C1)CCCC2=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42407","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

5-hydroxy-3-butylphthalide