Exact Mass: 306.1103
Exact Mass Matches: 306.1103
Found 500 metabolites which its exact mass value is equals to given mass value 306.1103,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cimitin
Cimifugin is an oxacycle and an organic heterotricyclic compound. Cimifugin is a natural product found in Eranthis cilicica, Ostericum grosseserratum, and other organisms with data available. Cimifugin (Cimitin) is a bioactive component of Cimicifuga racemosa, a Chinese herb. Cimifugin suppresses allergic inflammation by reducing epithelial derived initiative key factors via regulating tight junctions[1]. Cimifugin reduces the migration and chemotaxis of RAW264.7 cells and inhibits the release of inflammatory factors and activation of MAPKs and NF-κB signaling pathways induced by LPS[2]. Cimifugin (Cimitin) is a bioactive component of Cimicifuga racemosa, a Chinese herb. Cimifugin suppresses allergic inflammation by reducing epithelial derived initiative key factors via regulating tight junctions[1]. Cimifugin reduces the migration and chemotaxis of RAW264.7 cells and inhibits the release of inflammatory factors and activation of MAPKs and NF-κB signaling pathways induced by LPS[2].
Fluconazole
Fluconazole is only found in individuals that have used or taken this drug. It is a triazole antifungal agent that is used to treat oropharyngeal candidiasis and cryptococcal meningitis in AIDS. [PubChem]Fluconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Fluconazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis. J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Z-Gly-Pro
KEIO_ID Z003; [MS3] KO009084 KEIO_ID Z003; [MS2] KO009083 KEIO_ID Z003
(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol is considered to be practically insoluble (in water) and relatively neutral
Glutathione amide
The dicarboxylic acid monoamide arising by formal condensation of the carboxylic acid group of the glycine residue of glutathione with ammonia.
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide is found in onion-family vegetables. gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide is a constituent of onion (Allium cepa) Constituent of onion (Allium cepa). gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide is found in garden onion, soft-necked garlic, and onion-family vegetables.
trans-O-Methylgrandmarin
trans-O-Methylgrandmarin is found in citrus. trans-O-Methylgrandmarin is a constituent of satsuma mandarins (Citrus unshiu). Constituent of satsuma mandarins (Citrus unshiu). trans-O-Methylgrandmarin is found in citrus.
Musanolone C
Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. (1R*,2R*,3R*)-2,3-Dihydro-4-(4-hydroxyphenyl)-1H-phenalene-3-oxo-1,2-diol is found in fruits. Musanolone C is found in fruits. Musanolone C is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae.
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one is found in fruits. 2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one is found in fruits.
Starch acetate
Many uses in processed foods including stabilizer, thickener, moisture control, flavour modifier, release/antisticking agent and firming agent
Dehydrowarfarin
Dehydrowarfarin is a metabolite of warfarin. Warfarin (also known under the brand names Coumadin, Jantoven, Marevan, Lawarin, Waran, and Warfant) is an anticoagulant normally used in the prevention of thrombosis and thromboembolism, the formation of blood clots in the blood vessels and their migration elsewhere in the body respectively. It was initially introduced in 1948 as a pesticide against rats and mice and is still used for this purpose, although more potent poisons such as brodifacoum have since been developed. (Wikipedia)
6-O-Desmethyl-mycophenolic acid
6-O-Desmethyl-mycophenolic acid is a metabolite of mycophenolic acid. Mycophenolic acid or mycophenolate is an immunosuppressant drug used to prevent rejection in organ transplantation. It inhibits an enzyme needed for the growth of T cells and B cells. It was initially marketed as the prodrug mycophenolate mofetil (MMF) to improve oral bioavailability. More recently, the salt mycophenolate sodium has also been introduced. Mycophenolic acid is commonly marketed under the trade names CellCept and Myfortic. (Wikipedia)
(+/-)-(e)-4-Ethyl-2-[(z)-hydroxyimino]-5-nitro-3-hexen-1-yl-nicotinamide
2-Hydroxy-1-naphthaldehyde salicyloylhydrazone
Propylenediamine tetra-acetic acid
Metioprim
C254 - Anti-Infective Agent > C258 - Antibiotic
8-Hydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione
gamma-L-Glutamyl-S-(1-propenyl)-cysteine sulfoxide
Gamma-l-glutamyl-s-(1-propenyl)-cysteine sulfoxide is soluble (in water) and a moderately acidic compound (based on its pKa). Gamma-l-glutamyl-s-(1-propenyl)-cysteine sulfoxide can be found in garden onion, which makes gamma-l-glutamyl-s-(1-propenyl)-cysteine sulfoxide a potential biomarker for the consumption of this food product.
5-(Hydroxymethyl)-6-(3,5-dimethoxy-4-hydroxyphenyl)-8-oxabicyclo[3.2.1]octa-3-ene-2-one
2,3-Dihydro-2,3-dihydroxy-9-(4-hydroxyphenyl)-1H-phenalen-1-one
1-(4-methoxyphenyl)-3-(thiomorpholin-4-yl)pyrrolidine-2,5-dione
7-(3-Methylbut-2-enyloxy)flavone|7-(3-methyl-but-2-enyloxy)-2-phenyl-chromen-4-one|7-gamma,gamma-dimethylallyloxyflavanone|Cordoin-flavon
8alpha-acetoxy-3alpha,4alpha-epoxy-1alpha-hydroxyguai-9,11(13)-dien-6alpha,12-olide
1,7,8,9-Tetrahydro-1,9-dihydroxy-4-methoxy-5-methyl-8-(1-methylethenyl)-3H-furo[3,4-f][1]benzopyran-3-one
(2S)-5-hydroxy-2-(1-hydroxy-4-oxocyclohexyl)-7-methoxychroman-4-one|(2S)-ongokein-4-one
(2E,6E)-8-(2,4,5-trihydroxyphenyl)-2,6-dimethyl-8-oxo-2,6-dienoic acid|orirubenone B
Methyl 5-acetoxymethanol-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylate|methyl 5-acetoxymethyl-7-hydroxy-2,2-dimethyl-2H-1-chromene-6-carboxylate
plectranthon A|Plectranthon A ( = 3-Hydroxy-5,7,8-trimethyl-2-(prop-2-enyl)phenanthren-1,4-dion)|Plectranthone A
Ochromycinon; 11-Hydroxy-3-methyl-1-oxo-1,2,3,4-tetrahydrobenzanthrachinon|Ochromycinon; 11-Hydroxy-3-methyl-1-oxo-1,2,3,4-tetrahydrobenz[a]anthrachinon
1,4,6-trihydroxy-2-methoxy-7-methyl-5,6,8,8a,9,10a-hexahydro-7,9-epoxyanthracen-10-one|fusaquinon A
4-(alpha-D-glocopyranosyloxy)-2-hydroxy-2-methyl-2H-pyran-3(6H)-one
2,3-Dihydro-3,9-dihydroxy-4-phenyl-5-methoxy-1H-phenalene
plectranthon D|Pseudoplectranthon D ( = 3-Hydroxy-7,8,10-trimethyl-2-(prop-2-enyl)phenanthren-1,4-dion)
(E)-1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3-phenylprop-2-en-1-one|1-(5-Hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3t-phenyl-propenon|1-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-3t-phenyl-propenone|Lonchocarpin|lonchocarpine
(-)-erythro-6-(1,2-dihydroxy-3-methylbut-3-enyl)-7,8-dimethoxy-[2H]-chromen-2-one|(-)-fatouain A
(3R,4S,5S)-3,5-dihydroxy-4-(beta-D-xylopyranosyloxy)cyclohex-1-ene-1-carboxylic acid|shikimic acid 4-(beta-D-xylopyranoside)
nigerapyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger.
3-hydroxy-1-keto-3-methyl-8-methoxy-1,2,3, 4-tetrahydro-benz[alpha]anthracene
(+)-fatouain E|(+)-threo-8-hydroxy-6-(2-hydroxy-1-methoxy-3-methylbut-3-enyl)-7-methoxy-[2H]-chromen-2-one
6-(2,3-Dihydroxy-3-methylbutyl)-7-acetoxy-2H-1-benzopyran-2-one
6-hydroxy-5-methoxy-7-phenyl-3h-benzo[de]isochromen-1-one
(S)-2,5,7-trihydroxy-3-(5-hydroxyhexyl)-1,4-naphthoquinone
(1R)-2,3-dihydro-4,9-dihydroxy-8-methoxy-1-phenylphenalene|2,3-dihydro-4,9-dihydroxy-8-methoxy-1-phenylphenalene
(Z)-6-benzylidene-3-hydroxymethyl-1,4-dimethyl-3-methylsulfanylpiperazine-2,5-dione
2-(2-Hydroxypentyl)-4-oxo-7-methoxy-4H-1-benzopyran-5-carboxylic acid
(+/-)-6-(1-ethoxyethyl)-5-hydroxy-2,7-dimethoxynaphthoquinone|6-(1-Ethoxyethyl)-5-hydroxy-2,7-dimethoxy-1,4-naphthoquinone
2-(hydroxymethyl)-6-naphthalen-2-yloxyoxane-3,4,5-triol
fluconazole
J - Antiinfectives for systemic use > J02 - Antimycotics for systemic use > J02A - Antimycotics for systemic use > J02AC - Triazole and tetrazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065688 - Cytochrome P-450 CYP2C9 Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3238; ORIGINAL_PRECURSOR_SCAN_NO 3236 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3247; ORIGINAL_PRECURSOR_SCAN_NO 3245 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3228; ORIGINAL_PRECURSOR_SCAN_NO 3225 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3241; ORIGINAL_PRECURSOR_SCAN_NO 3237 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3236; ORIGINAL_PRECURSOR_SCAN_NO 3231 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3230; ORIGINAL_PRECURSOR_SCAN_NO 3229 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6761; ORIGINAL_PRECURSOR_SCAN_NO 6759 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6801; ORIGINAL_PRECURSOR_SCAN_NO 6798 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6803; ORIGINAL_PRECURSOR_SCAN_NO 6800 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6824; ORIGINAL_PRECURSOR_SCAN_NO 6823 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6831; ORIGINAL_PRECURSOR_SCAN_NO 6829 CONFIDENCE standard compound; INTERNAL_ID 542; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6836; ORIGINAL_PRECURSOR_SCAN_NO 6832 CONFIDENCE standard compound; INTERNAL_ID 2352 CONFIDENCE Parent Substance (Level 1); INTERNAL_ID 2300 CONFIDENCE standard compound; INTERNAL_ID 8598 INTERNAL_ID 8598; CONFIDENCE standard compound CONFIDENCE standard compound; EAWAG_UCHEM_ID 328 EAWAG_UCHEM_ID 328; CONFIDENCE standard compound
5-(3-hydroxy-4,5-dimethoxyphenyl)-2,3-dimethoxyphenol
(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
(E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
Cimifugin
Cimifugin (Cimitin) is a bioactive component of Cimicifuga racemosa, a Chinese herb. Cimifugin suppresses allergic inflammation by reducing epithelial derived initiative key factors via regulating tight junctions[1]. Cimifugin reduces the migration and chemotaxis of RAW264.7 cells and inhibits the release of inflammatory factors and activation of MAPKs and NF-κB signaling pathways induced by LPS[2]. Cimifugin (Cimitin) is a bioactive component of Cimicifuga racemosa, a Chinese herb. Cimifugin suppresses allergic inflammation by reducing epithelial derived initiative key factors via regulating tight junctions[1]. Cimifugin reduces the migration and chemotaxis of RAW264.7 cells and inhibits the release of inflammatory factors and activation of MAPKs and NF-κB signaling pathways induced by LPS[2].
C16H18O6_3H-Oxireno[h][3]benzoxacyclododecin-7,13(2H,8H)-dione, 1a,4,5,13a-tetrahydro-10,12-dihydroxy-5-methyl
15,17-dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.0³,⁵]heptadeca-1(17),13,15-triene-2,11-dione
(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione [IIN-based on: CCMSLIB00000848009]
(3S)-8-hydroxy-3-methyl-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione [IIN-based: Match]
15,17-dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.0³,⁵]heptadeca-1(17),13,15-triene-2,11-dione_major
15,17-dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.0³,?]heptadeca-1(17),13,15-triene-2,11-dione
Gly Gly Ser Ser
Gly Ser Gly Ser
Gly Ser Ser Gly
Ser Gly Gly Ser
Ser Gly Ser Gly
Ser Ser Gly Gly
g-Glutamyl-S-(1-propenyl)cysteine sulfoxide
2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one
trans-O-Methylgrandmarin
N-(4-amino-2-methoxy-5-methylphenyl)-4-methylbenzenesulfonamide
3-AMINO-8-BENZYL-8-AZABICYCLO[3.2.1]OCTANE DIHYDROCHLORIDE MONOHYDRATE (3-ENDO)-
2-[4-(ACETYLAMINO)PHENYL]QUINOLINE-4-CARBOXYLIC ACID
(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-5-nitro-1H-indol-2-yl)bor onic acid
ethyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
Potassium (4-tert-butoxycarbonylpiperazin-1-yl)methyltrifluoroborate
1-[2-(4-methoxyphenyl)ethyl]piperidin-4-amine,dihydrochloride
Chloroprocaine Hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
7-Hydroxy-6-methoxy-3-[(pivaloyloxy)methyl]-3,4-dihydroquinazolin-4-one
4-((4-Methylpiperazin-1-yl)Methyl)phenylboronic acid
3-hydroxy-N-(phenylcarbamoyl)naphthalene-2-carboxamide
4-(2-Bromopropyl)-1-piperazinecarboxylic acid, 1,1-dimethylethyl ester
3-methoxy-6-methyl-1-(3,4,5-trimethoxyphenyl)pyridazin-4-one
6-(Benzyloxy)-4-hydroxy-7-methoxy-3-quinolinecarbonitrile
1-piperidin-4-yl-5-(trifluoromethyl)benzotriazole,hydrochloride
3-AMINO-1-BENZYL-3-PYRROLIDINECARBOXYLATEDIHYDROCHLORIDE
Ethyl 4-hydroxy-1-(2-methoxyethyl)-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid
N-(3-PHENYL-4,5,6,7-TETRAHYDROBENZO[D]THIAZOL-2(3H)-YLIDENE)ANILINE
5-(N-TERT-BUTOXYCARBONYLAMINOMETHYL)-4-PHENYL-1,2,4-TRIAZOLE-3-THIOL
4-(5-cyano-7-isopropylbenzo[d]oxazol-2-yl)benzoic acid
[5,5-Biisobenzofuran]-1,1,3,3-tetrone, dodecahydro-
(2R,5S)-5-Benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one Hydrochloride
(3-((TERT-BUTYLDIMETHYLSILYL)OXY)-2,4,6-TRIFLUOROPHENYL)BORONIC ACID
7-(Benzyloxy)-4-hydroxy-6-methoxy-3-quinolinecarbonitrile
4H-1,4-BENZODIAZEPINE-4,8-DICARBOXYLIC ACID-1,2,3,5-TETRAHYDRO-2-OXO-4-(1,1-DIMETHYLETHYL) ESTER
1-(5-Tert-butyl-2-methyl-2H-pyrazol-3-YL)-3-(4-chloro-phenyl)-urea
8-Hydroxy-3-methyl-3,4-dihydrotetraphene-1,7,12(2H)-trione
Ochromycinone ((Rac)-STA-21) is a natural antibiotic and a STAT3 inhibitor. Ochromycinone can inhibits STAT3 DNA binding activity, STAT3 dimerization. Ochromycinone has anticancer and antimicrobial activity[1][2].
N-cyano-N-propan-2-ylcarbamimidothioic acid [2-(2-methoxyanilino)-2-oxoethyl] ester
15,17-Dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.03,5]heptadeca-1(13),14,16-triene-2,11-dione
N-[(4S)-4-azaniumyl-4-carboxylatobutanoyl]-L-cysteinylglycinamide
[(3S)-4-(5-methylhexanoyl)-5-oxooxolan-3-yl]methyl phosphate
(2S)-2-[2-[[(4R)-4-amino-4-carboxybutyl]amino]-2-oxoethyl]-2-hydroxybutanedioic acid
2-[2-[3-[Acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-2-hydroxybutanedioic acid
[4-(5-methylhexanoyl)-5-oxo-2H-furan-3-yl]methyl dihydrogen phosphate
(+/-)-(e)-4-Ethyl-2-[(z)-hydroxyimino]-5-nitro-3-hexen-1-yl-nicotinamide
4-(4-nitrophenyl)-N-prop-2-enyl-1-piperazinecarbothioamide
Ethyl 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3-(1-Benzimidazolyl)-6-ethyl-7-hydroxy-1-benzopyran-4-one
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
1-Phenyl-3-[(E)-quinolin-6-ylmethylideneamino]thiourea
N-[4-[2-(2-methoxyethylamino)-6H-1,3,4-thiadiazin-5-yl]phenyl]acetamide
4-[(3-Cyano-4,6-dimethyl-2-pyridinyl)thio]-3-oxobutanoic acid propan-2-yl ester
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4-thiophen-2-ylbutanamide
1-(2,3-Dihydroindol-1-yl)-2-(5-pyridin-4-yl-2-tetrazolyl)ethanone
2-[4-[(1-Phenyl-5-tetrazolyl)oxy]phenyl]-1,3,4-oxadiazole
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
1-(4-Methoxyphenyl)-3-(1-thiophen-2-ylpropan-2-yl)thiourea
1-Chloro-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-4-methylbenzene
2,3-Dihydroindol-1-yl-(6-fluoro-2-methyl-4-quinolinyl)methanone
2-[[(5-Methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile
2-(2-furanyl)-5-methyl-6-(phenylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
3-(4-Fluorophenyl)-5-(2-furanyl)-2-phenyl-3,4-dihydropyrazole
(3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester
5-(3-Hydroxy-4,5-dimethoxyphenyl)-2,3-dimethoxyphenol
(2R)-2-[4-(1H-indol-3-yl)butanoylamino]-3-sulfanylpropanoic acid
N-(3-chloro-2-methylphenyl)-2-[(2-fluorophenyl)methylamino]acetamide
8-(3-Phenylpropenoyl)-2,2-dimethyl-2H-1-benzopyran-7-ol
(2S,3R,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
(2R,3R,4S)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
2-[(2R,3R,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
(2R,3S,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
2-[(2S,3R,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3S,6R)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6R)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2S,3S,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
2-[(2R,3R,6R)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetic acid
(2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
1-(4-Chlorophenyl)-2-[5-(1-pyrrolidinyl)-2-tetrazolyl]ethanone oxime
5-[(S)-alpha-Hydroxy 3,4,5-trimethoxybenzyl]-2,4-pyrimidinediamine
2-amino-7-[4-hydroxy-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboximidamide
1-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enylidene]pyrrolidin-1-ium-2-carboxylic acid
(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol
1-naphthyl beta-D-glucoside
A beta-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 1-naphthyl group.
glutathione amide zwitterion
Zwitterionic form of glutathione amide having an anionic carboxy group and a protonated amino group; major species at pH 7.3.
Facinicline (hydrochloride)
Facinicline hydrochloride (RG3487 hydrochloride) is an orally active nicotinic α7 receptor partial agonist, with a Ki of 6 nM for α7 human nAChR. Facinicline hydrochloride (RG3487 hydrochloride) improves cognition and sensorimotor gating in rodents. Facinicline hydrochloride (RG3487 hydrochloride) shows high affinity (antagonist) to 5-HT3Rs with a Ki value of 1.2 nM[1].
ML353
ML353 is a selective ligand of mGlu5 silent allosteric modulator (SAM) with an Ki value of 18.2 nM. ML353 improves the affinity of common allosteric sites, 20-fold higher than the previous mGlu5 SAM tool compound 5mpep. ML353 has potential applications in solving the intrinsic activity of SAM in vivo or as a agent blocker[1]. ML353 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
10-hydroxy-9-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-8-en-7-yl acetate
(5z)-3-benzyl-1-hydroxy-5-(phenylmethylidene)pyrazine-2,6-dione
9-hydroxy-5,10-dimethoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
5-hydroxy-3-[(2s)-2-hydroxypropyl]-6,8-dimethoxy-2-methylnaphthalene-1,4-dione
(3s,12s,13s)-3,13-dihydroxy-7-methoxy-8-methyl-12-(prop-1-en-2-yl)-4,10-dioxatricyclo[7.4.0.0²,⁶]trideca-1,6,8-trien-5-one
2-(1,4-dihydroxycyclohexyl)-5-hydroxy-7-methoxychromen-4-one
(1s,2s,4s,5s,6r,10r)-10-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-5-yl benzoate
3-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-6-(prop-1-en-2-yl)oxan-2-one
[(5s)-5-[(2r)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1h-pyrrole-2-carboxylate
(1s,2s,6r,7s,10s,12r,14s)-10-hydroxy-9-methyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradec-8-en-7-yl acetate
9,9-dimethyl-3,8,20-trioxapentacyclo[11.7.0.0²,⁶.0⁷,¹².0¹⁴,¹⁹]icosa-1(13),2(6),4,7(12),10,14(19),15,17-octaen-18-ol
(3r,3ar,4r,6s)-3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-1-oxo-3,4,5,6-tetrahydro-2-benzofuran-4-yl acetate
(9r,10s)-9-hydroxy-5,10-dimethoxy-8,8-dimethyl-9h,10h-pyrano[2,3-h]chromen-2-one
16-amino-14,15-dimethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
(3s,5r,9s)-15,17-dihydroxy-9-methyl-4,10-dioxatricyclo[11.4.0.0³,⁵]heptadeca-1(17),13,15-triene-2,11-dione
1,6-dimethyl-10,11-dioxo-7h-phenanthro[1,2-b]furan-6-carbaldehyde
(2e)-3-[2-(2h-1,3-benzodioxol-5-yl)-3-methyl-1-benzofuran-5-yl]prop-2-enal
1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-phenylprop-2-en-1-one
methyl 2-[(4s,6s,9z,10r)-6-methyl-8,12-dioxo-5,11-dioxatricyclo[8.2.1.0⁴,⁶]tridec-1(13)-en-9-ylidene]propanoate
3-(furan-3-yl)-6-hydroxy-3a,7-dimethyl-1-oxo-3,4,5,6-tetrahydro-2-benzofuran-4-yl acetate
1-naphthol-β-d-glucopyranoside
{"Ingredient_id": "HBIN002826","Ingredient_name": "1-naphthol-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H18O6","Ingredient_Smile": "C1=CC=C2C(=C1)C=CC=C2OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15246","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-ongokein-4'-one
{"Ingredient_id": "HBIN006819","Ingredient_name": "(2s)-ongokein-4'-one","Alias": "NA","Ingredient_formula": "C16H18O6","Ingredient_Smile": "COC1=CC(=C2C(=O)CC(OC2=C1)C3(CCC(=O)CC3)O)O","Ingredient_weight": "306.31 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16087","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101763963","DrugBank_id": "NA"}
6-(2',3'-dihydroxy-3'-methylbutyl)-7-acetoxy-2h-1-benzopyran-2-one
{"Ingredient_id": "HBIN012009","Ingredient_name": "6-(2',3'-dihydroxy-3'-methylbutyl)-7-acetoxy-2h-1-benzopyran-2-one","Alias": "NA","Ingredient_formula": "C16H18O6","Ingredient_Smile": "CC(=O)OC1=C(C=C2C=CC(=O)OC2=C1)CC(C(C)(C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6025","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-(3-hydroxy-3-methylbutanoyl)-5,7-dimethoxycoumarin
{"Ingredient_id": "HBIN013567","Ingredient_name": "8-(3-hydroxy-3-methylbutanoyl)-5,7-dimethoxycoumarin","Alias": "NA","Ingredient_formula": "C16H18O6","Ingredient_Smile": "NA","Ingredient_weight": "306.31","OB_score": "NA","CAS_id": "75239-74-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7412","PubChem_id": "NA","DrugBank_id": "NA"}
