Exact Mass: 314.1205
Exact Mass Matches: 314.1205
Found 500 metabolites which its exact mass value is equals to given mass value 314.1205,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyraclonil
The sample was injected by direct infusion.; Precursor ion, [M-H]-, is a 37Cl-isotopolog ion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan. The sample was injected by direct infusion.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
7,8-Dihydropteroic acid
In the mammalian host, dihydrofolate biosynthesis occurs via the reduction of folic acid, whereas in plasmodia (e.g. Plasmodium berghei, a malaria parasite) the biosynthesis of 7,8-dihydropteroate, an intermediate product in dihydrofolate synthesis, occurs via the enzymic catalysis of the reaction of 2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine pyrophosphate with p-aminobenzoate. Malaria parasites synthesize their folate cofactors de novo and the antimalarial action of sulfonamides is due to their inhibiting the plasmodial dihydropteroate synthesis. The enzymes 6-hydroxymethylpterin pyrophosphokinase (EC 2.7.6.3, HPPK) and dihydropteroate synthase (EC 2.5.1.15, DHPS) catalyze sequential steps in folate biosynthesis. They are present in microorganisms but absent in mammals and therefore are especially suitable targets for antimicrobials. Sulfa drugs (sulfonamides and sulfones) currently are used as antimicrobials targeting DHPS, although resistance to these drugs is increasing. An NADPH-coupled microplate photometric assay could be used for rapid screening of chemical libraries for novel inhibitors of folate biosynthesis as the first step in developing new antimicrobial drugs targeting the folate biosynthetic pathway; in the microplate, the product of the DHPS reaction, 7,8-dihydropteroic acid, is reduced to tetrahydropteroate by excess dihydrofolate reductase (DHFR) using the cofactor NADPH (PMID: 17134675, 4354403, 3546688). 7,8-dihydropteroic acid, also known as dihydropteroinsaeure or h2pte, belongs to pterins and derivatives class of compounds. Those are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. 7,8-dihydropteroic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7,8-dihydropteroic acid can be synthesized from pteroic acid. 7,8-dihydropteroic acid can also be synthesized into 2-hydroxy-7,8-dihydropteroic acid. 7,8-dihydropteroic acid can be found in a number of food items such as rice, towel gourd, cauliflower, and silver linden, which makes 7,8-dihydropteroic acid a potential biomarker for the consumption of these food products. 7,8-dihydropteroic acid exists in all living species, ranging from bacteria to humans. In humans, 7,8-dihydropteroic acid is involved in the pterine biosynthesis.
(R)-3-(METHYLAMINO)-1-PHENYLPROPANOLHYDROCHLORIDE
2'-Hydroxy-4,4',6'-trimethoxychalcone
Flavokawain A is a member of chalcones. 2-Hydroxy-4,4,6-trimethoxychalcone is a natural product found in Dahlia tenuicaulis, Piper methysticum, and other organisms with data available. See also: Piper methysticum root (part of). 2-Hydroxy-4,4,6-trimethoxychalcone is found in beverages. 2-Hydroxy-4,4,6-trimethoxychalcone is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) (E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. (E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1].
p-Hydroxyphenethyl trans-ferulate
P-Hydroxyphenethyl trans-ferulate is a hydroxycinnamic acid. p-Hydroxyphenethyl trans-ferulate is a natural product found in Sida spinosa, Chaerophyllum hirsutum, and other organisms with data available. p-Hydroxyphenethyl trans-ferulate is found in herbs and spices. p-Hydroxyphenethyl trans-ferulate is a constituent of Oenanthe javanica (water dropwort). Constituent of Oenanthe javanica (water dropwort). p-Hydroxyphenethyl trans-ferulate is found in herbs and spices. p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
2,3,9-Trimethoxypterocarpan
2,3,9-Trimethoxypterocarpan is found in common pea. 2,3,9-Trimethoxypterocarpan is isolated from Pisum sativum (pea). Isolated from Pisum sativum (pea). 2,3,9-Trimethoxypterocarpan is found in pulses and common pea.
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
5,8-Dimethoxychalepensin
5,8-Dimethoxychalepensin is found in herbs and spices. 5,8-Dimethoxychalepensin is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). 5,8-Dimethoxychalepensin is found in herbs and spices.
beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone
beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is found in tea. beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). beta,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone is found in tea.
(-)-3,4,9-Trimethoxypterocarpan
(-)-3,4,9-Trimethoxypterocarpan is found in herbs and spices. (-)-3,4,9-Trimethoxypterocarpan is a constituent of Melilotus alba (white melilot)
2'-Hydroxyenterolactone
2-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2-Hydroxyenterolactone
2-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4'-Hydroxyenterolactone
4-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxyenterolactone
4-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
5-Hydroxyenterolactone
5-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6'-Hydroxyenterolactone
6-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-Hydroxyenterolactone
6-Hydroxyenterolactone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
7-Hydroxyenterolactone
7-Hydroxyenterolactone is a lignan polyphenol metabolite detected in biological fluids (PMID: 20428313). 7-Hydroxyenterolactone is a potential biomarker of whole grain intake.
3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-dihydrofuran-2-one
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
Fenleuton
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
Molinate
Cyclopropyl-methoxycarbonyl metomidate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
Oprea1_436908
Naringenin trimethyl ether is a natural product found in Dahlia tenuicaulis and Streptomyces diastatochromogenes with data available.
Agrimonolide
Agrimonolide is a natural product found in Spiraea formosana and Agrimonia pilosa with data available.
7,2-Dihydroxy-6,8-dimethyl-4,5-methylenedioxyflavan
7,2-Dihydroxy-5,8-dimethyl-4,5-methylenedioxyflavan
Matteucinol
A dihydroxyflavanone that is (2S)-flavanone with hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a methoxy group at position 4.
Flavokawin A
(E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. (E)-Flavokawain A, a chalcone extracted from Kava, has anticarcinogenic effect. (E)-Flavokawain A induces apoptosis in bladder cancer cells by involvement of bax protein-dependent and mitochondria-dependent apoptotic pathway and suppresses tumor growth in mice[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1]. Flavokawain A, a proming anticarcinogenic agent, is a chalcone from kava extract with anti-tumor activity. Flavokawain A induces cell apoptosis by involvement of Bax protein-dependent and mitochondria-dependent apoptotic pathway. Flavokawain A has the potential for the study of bladder cancer[1].
N-Bicyclo[2.2.1]hept-5-en-2-yl-N-(3-cyano-4,6-dimethyl-2-oxo-1,2-dihydropyridin-1-yl)thiourea
1,1-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
Diethylene glycol dibenzoate
CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9416; ORIGINAL_PRECURSOR_SCAN_NO 9413 DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_ACQUISITION_NO 9421; ORIGINAL_PRECURSOR_SCAN_NO 9419 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9421; ORIGINAL_PRECURSOR_SCAN_NO 9419 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9460; ORIGINAL_PRECURSOR_SCAN_NO 9458 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9495; ORIGINAL_PRECURSOR_SCAN_NO 9492 CONFIDENCE standard compound; INTERNAL_ID 785; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9512; ORIGINAL_PRECURSOR_SCAN_NO 9507
1-(2,3,4-trimethoxy-6-hydroxyphenyl)-3-phenylpropen-1-one|1-(6-Hydroxy-2,3,4-Trimethoxyphenyl)-3-Phenyl-Propenone|6-hydroxy-2,3,4-trimethoxychalcone|6-hydroxy-2.3.4-trimethoxy-trans(?)-chalcone of mp: 104 degree|6-Hydroxy-2.3.4-trimethoxy-trans(?)-chalkon vom F:104grad|6-Hydroxy-2.3.4-trimethoxy-trans(?)-chalkon vom F:133grad|Heliandin B|Helilandin B
3-(2,3-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
1-(4-hydroxy-2,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
1alpha,2alpha,3alpha,4alpha,10alpha-Pentahydroxyguaia-11(13)ene-12,6alpha-olide
beta-D-1C-(1S*,2R*,3R*,4S*,1,2,3,4,5-pentahydroxypentyl)glucopyranoside|diospyrodin
4,5-Methylene ether-2,4,5,7-Tetrahydroxy-5,8-dimethylflavan|7,2-dihydroxy-5,8-dimethyl-4,5-methylenedioxyflavan
2-Phenyl-5-hydroxy-8-(hydroxymethyl)-7-methoxy-6-methyl-2,3-dihydro-4H-1-benzopyran-4-one
1-(4-hydroxyphenyl)-2-propanol 4-O-beta-D-glucopyranoside
3,7-Di-Me ether-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-methyl-5-benzofurancarboxaldehyde
(2S,3R,3aR,4R,4S,5R,7R,8aR)-octahydro-3,4-dihydroxy-3-(hydroxymethyl)-5-methyl-3H-spiro[4,7-methanofuro[3,2-c]oxepine-2,2-pyran]-6(4H)-one|glochicoccin A
2-O-beta-D-galactofuranosyl-D-arabinitol|O2-beta-D-Galactofuranosyl-D-arabit|O2-beta-D-galactofuranosyl-D-arabitol
3-[(4-hydroxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
1alpha-hydroxypseudoanisatin|1??-Hydroxypseudoanisatin
5,7-dihydroxy-6-methyl-3-(4-methoxybenzyl)-chroman-4-one
3-methoxy-4,4-dihydroxy-7-oxo-9-nor-3,7-epoxy-8,2-neolignane
1-(4-methoxy-2,5-dimethylphenyl)-beta-D-glucopyranose|dunnianoside H
(10S)-6,11,12-trihydroxy-15,16-dinorpimara-1,5,8,11,13-pentaene-3,7-dione|6,11,12-trihydroxy-15,16-dinor-ent-pimara-1,5,8,11,13-pentaene-3,7-dione|dryperrein D
1,13,14-trihydroxy-3,4-anhydrofloridanolide|dunnianolide B
2,5,6,3,4-Pentahydroxy-3,4-tetramethylen-stilben|2-(3,4-Dihydroxy-styryl)-tetralintriol-(1,3,5)|3-(3,4-dihydroxy-styryl)-5,6,7,8-tetrahydro-naphthalene-1,2,4-triol|3-(3,4-Dihydroxy-styryl)-5,6,7,8-tetrahydro-naphthalin-1,2,4-triol|Piceatannol
4,5-Methylene ether-2,4,5,7-Tetrahydroxy-6,8-dimethylflavan|7,2-dihydroxy-6,8-dimethyl-4,5-methylenedioxyflavan
(11)7,14-ortholactone of 14-hydroxy-3-oxofloridanolide
Me ester,di-Me ether-3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid
6-(4-hydroxy-3-methylbut-2-enyl)-1,5-dihydroxyxanthone
1-[2-(Hydroxymethyl)-2-propenyl]-3,7-dimethoxydibenzofuran-2-ol
4,9-Dimethoxy-6-(3-methyl-2-butenyl)-7H-furo[3,2-g][1]benzopyran-7-one
4-[5-(3-Hydroxypropyl)benzofuran-2-yl]-5-methoxyresorcinol
1-(2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
5-(3-hydroxypropyl)-2-(2-methoxy-3,4-dihydroxyphenyl)benzofuran
(2S)-3,4-methylenedioxy-5,7-dimethoxyflavan|(2S)-3,4-Methylenedioxy-5,7-dimethoxyflavane
homocyclolongipesin 9-O-acetate|O-Ac-Homocyclolongipesin
15,16-Dihydrotanshindiol C
SPA-9C (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from ZUE_N: mz313_11_rt10_56_HCD60_SPA-9C; CONFIDENCE Tentative identification: isomers possible (Level 3); Good match to 6phiC9SPC, LIT00035
trimethylene bis(4-aminobenzoate)
CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7854; ORIGINAL_PRECURSOR_SCAN_NO 7850 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7867; ORIGINAL_PRECURSOR_SCAN_NO 7864 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7905; ORIGINAL_PRECURSOR_SCAN_NO 7903 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7898; ORIGINAL_PRECURSOR_SCAN_NO 7895 CONFIDENCE standard compound; INTERNAL_ID 291; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7906; ORIGINAL_PRECURSOR_SCAN_NO 7902
hydroxyphenethylferulate
p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve
b,2-Dihydroxy-4,6-dimethoxy-3-methylchalcone
2'-Hydroxyenterolactone
2-Hydroxyenterolactone
4'-Hydroxyenterolactone
4-Hydroxyenterolactone
5-Hydroxyenterolactone
6'-Hydroxyenterolactone
6-Hydroxyenterolactone
7-Hydroxyenterolactone
2-[4-(2-Pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
2-[[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]amino]acetic acid
4-[(4-METHYL-BENZYLAMINO)-METHYL]-3-NITRO-BENZOICACIDMETHYLESTER
2-(4-Isopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methylchinolin-4-ol
(3-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid hydrochloride
1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
Amprolium
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid
2-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)NICOTINIC ACID
3-(2-NAPHTHALEN-2-YL-2-OXO-ETHYLIDENE)-3,4-DIHYDRO-1H-QUINOXALIN-2-ONE
5-naphthalen-2-yl-1-phenylpyrazole-3-carboxylic acid
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants > D003292 - Convulsants
3-[2-Methoxy-4-(methoxycarbonyl)-4-biphenylyl]propanoic acid
[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]-boronic acid
(3-(4-(2-Hydroxyethyl)piperazine-1-carbonyl)phenyl)boronic acid hydrochloride
1-Propanol,2-[(tetrahydro-2H-pyran-2-yl)oxy]-,4-methylbenzenesulfonate,(2S)-
(1S,2S,3R,5S)-(+)-2,3-pinanediol 4-bromobutylboronate ester
2-[4-(4-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
3-(1-phenyl-1H-benzo[d]iMidazol-2-yl)phenylboronic acid
N-(4-Fluorophenyl)-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
Molidustat
C471 - Enzyme Inhibitor Molidustat (BAY 85-3934) is a novel inhibitor of hypoxia-inducible factor prolyl hydroxylase (HIF-PH) with mean IC50 values of 480 nM for PHD1, 280 nM for PHD2, and 450 nM for PHD3.
(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2-propenenitrile
acetic acid,(6E)-4-fluoro-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
(R,R)-(+)-1-(1-Naphthyl)-2-(2-naphthyl)-1,2-ethanediol
tert-Butyl 4-(5-chloro-6-oxo-1,6-dihydropyridazin-4-yl)piperazine-1-carboxylate
4-Chloro-2-fluoro-5-propoxyphenylboronic acid, pinacol ester
2-(4-Chloro-2-fluoro-5-isopropoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)PICOLINIC ACID
4-[4-(2-Hydroxyethyl)-1-piperazinylcarbonyl]benzeneboronic acid
METHYL 6-(4-METHOXYPHENYLAMINO)-5-OXO-1,2,3,5-TETRAHYDROINDOLIZINE-8-CARBOXYLIATE
1,2-Hydrazinedicarboxylicacid, 1-methyl-, 1,2-bis(phenylmethyl) ester
1H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, 1-(methoxycarbonyl)cyclopropyl ester
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
N-[4-[oxo(1-piperidinyl)methyl]phenyl]-2-thiophenecarboxamide
N-cyclopentyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)
4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
2-Hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
Fenleuton
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
84873-15-4
p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve p-Hydroxyphenethyl trans-ferulate has anti-hyperglycemic（yeast α-glucosidase，IC50 19.24 ± 1.73 μmol L-1）, antioxidant, and anti-inflammatory activities[1]. p-Hydroxyphenethyl trans-ferulate shows inhibiting cancer preve
(2S)-2-[[(5R)-3-(carboxylatomethylimino)-5-hydroxy-5-(hydroxymethyl)-2-methoxycyclohexen-1-yl]amino]propanoate
4-[[(2-Amino-4-oxo-3,5,7,8-tetrahydropteridin-6-ylidene)amino]methyl]benzoic acid
(3R,4S)-3-[(R)-hydroxy-(3-hydroxyphenyl)methyl]-4-[(3-hydroxyphenyl)methyl]oxolan-2-one
2,2,4-Trihydroxy-6-methoxy-3,5-dimethylchalcone
A member of the class of chalcones that is 3,5-dimethylchalcone substituted by hydroxy groups at positions 2, 2 and 4 and a methoxy group at position 6. Isolated from Psorothamnus polydenius, it exhibits antiparasitic activity.
(E)-4,2,4-trihydroxy-6-methoxy-3,5-dimethylchalcone
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2 and 4, a methoxy group at position 6 and methyl groups at positions 3 and 5. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
(2S)-2,7-Dihydroxy-5-methoxy-6,8-dimethylflavanone
A dihydroxyflavanon that is (2S)-flavanone substituted by hydroxy groups at positions 2 and 7, a methoxy group at position 5 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
(E)-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
1-[[Oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea
3-{5-[3-(3-fluorophenyl)-3-oxoprop-1-en-1-yl]-1-methyl-1H-pyrrol-2-yl}-N-hydroxyacrylamide
N-[(E)-[4-(4-Fluoroanilino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
1-(1,3-Benzodioxol-5-ylmethyl)-3-(2,5-dimethylphenyl)thiourea
N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
1-[1-(2,3-Dihydro-1,4-benzodioxin-3-yl)ethyl]-3-phenylthiourea
3-(2-fluorophenyl)-2-(4-fluorophenyl)-5,6,7,7a-tetrahydro-3H-pyrrolo[1,2-c]imidazol-1-one
1-[[2-(3-Methylanilino)-1-oxoethyl]amino]-3-phenylthiourea
N-[2-(1-naphthalenyloxy)-1-oxoethyl]-2-oxolanecarbohydrazide
(7-Methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-(4-morpholinyl)methanone
1,4-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol
6-(butan-2-ylthio)-1-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
3-{(3E)-4-hydroxy-6-oxo-3-[(2-phenylethyl)imino]cyclohexa-1,4-dien-1-yl}-L-alanine
A non-proteinogenic L-alpha-amino acid obtained by formal condensation of the 3-oxo group of L-topaquinone with the amino group of 2-phenylethylamine.
N-(sec-butyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol
2-[[(2R)-2-acetyloxy-3-methoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol
5-Hydroxy-7-methoxy-3-(3-methoxyphenyl)-8-methyl-2,3-dihydrochromen-4-one
N-(2,6-dimethylphenyl)-2-(7H-purin-1-ium-6-ylsulfanyl)acetamide
2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
2-[hydroxy-[(2R)-2-hydroxy-3-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(3R,4R)-1-(5-aminopentylamino)-4,5-dihydroxy-2-oxopentan-3-yl] dihydrogen phosphate
2-[hydroxy-[(2R)-3-hydroxy-2-propanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
2-[Hydroxy-(2-hydroxy-3-propanoyloxypropoxy)phosphoryl]oxyethyl-trimethylazanium
dihydropteroate
A pteroic acid derivative arising from formal hydrogenation of the 7,8-double bond of pteroic acid.
2-hydroxy-5-[(1E)-(2-phenylethylidene)amino]-L-tyrosine
An imine that is L-tyrosine bearing an additional hydroxy substituent at position 2 as well as a (2-phenylethylidene)amino substituent at position 5.
(2r)-2-[(2s,4e)-2-hydroxy-6-oxohept-4-en-2-yl]-2h,3h-furo[3,2-c]chromen-4-one
2-[(1r,2s,4s,5r,6r)-5-[(1s)-1-carboxy-1-hydroxyethyl]-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid
9h-pyrido[3,4-b]indole-3-carboxylic acid; methyl isobutyrate
3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbuta-1,3-dien-1-ylidene)-hexahydro-1-benzofuran-4,5-diol
4-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}pentane-1,2,3,5-tetrol
5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-3h-2-benzofuran-1-one
(2s)-5-hydroxy-6-(hydroxymethyl)-7-methoxy-8-methyl-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2r)-2,5-dihydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4h-1-benzopyran-3-one
6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2-benzopyran-1-one
5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6,8-dimethyl-2,3-dihydro-1-benzopyran-4-one
(1r,9s,10s)-5,9,14-trimethoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene
(2s,3s)-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
(2s,3s,4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentane-1,2,3,5-tetrol
(3r)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2h-1-benzopyran-4-one
(1s,2r,6s,7r,8s,10r,13r)-2,7,8-trihydroxy-6-(hydroxymethyl)-7,13-dimethyl-4,9-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁶,¹⁰]tetradecan-3-one
(2s,3r,4s,5s,6r)-2-{2-[(1s)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r)-3-ethoxy-5-methoxy-2-oxatetracyclo[6.6.2.0⁴,¹⁶.0¹¹,¹⁵]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-6,13-diol
(3as,6r,6ar,7r,8s,9r,9as,9bs)-6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one
(3s)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-3h-2-benzofuran-1-one
(2s)-2,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenyl-3h-1-benzopyran-4-one
(2s,3s)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde
2,5-dihydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4h-1-benzopyran-3-one
4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one
1-(4-hydroxyphenyl)-2-propanol
{"Ingredient_id": "HBIN001504","Ingredient_name": "1-(4-hydroxyphenyl)-2-propanol","Alias": "NA","Ingredient_formula": "C15H22O7","Ingredient_Smile": "NA","Ingredient_weight": "314.335","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9667","PubChem_id": "NA","DrugBank_id": "NA"}
1α-hydroxypseudoanisatin
{"Ingredient_id": "HBIN002310","Ingredient_name": "1\u03b1-hydroxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O7","Ingredient_Smile": "CC1(CC(C2(C13CC(=O)C(C2(COC(=O)C3)C)(C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10667","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-Benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chroman
{"Ingredient_id": "HBIN005351","Ingredient_name": "2-Benzo[1,3]dioxol-5-yl-5,7-dimethoxy-chroman","Alias": "(2S)-3',4'-Methylenedioxy-5,7-dimethoxyflavan; InChI=1/C18H18O5/c1-19-12-8-16(20-2)13-4-6-14(23-17(13)9-12)11-3-5-15-18(7-11)22-10-21-15/h3,5,7-9,14H,4,6,10H2,1-2H3/t14-/m0/s; 2H-1-benzopyran, 2-(1,3-benzodioxol-5-yl)-3,4-dihydro-5,7-dimethoxy-, (2S)-; 2-(1,3-benzodioxol-5-yl)-5,7-dimethoxychromane; (2S)-3',4'-Methylenedioxy-5,7-dimethoxyflavane; (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-chroman; (2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxychroman","Ingredient_formula": "C18H18O5","Ingredient_Smile": "COC1=CC2=C(CCC(O2)C3=CC4=C(C=C3)OCO4)C(=C1)OC","Ingredient_weight": "314.3 g/mol","OB_score": "57.6753183","CAS_id": "NA","SymMap_id": "SMIT08041","TCMID_id": "NA","TCMSP_id": "MOL006425","TCM_ID_id": "NA","PubChem_id": "636811","DrugBank_id": "NA"}
2-hydroxy-4,4',6'-trimethoxychalcone
{"Ingredient_id": "HBIN005752","Ingredient_name": "2-hydroxy-4,4',6'-trimethoxychalcone ","Alias": "2-hydroxy-4,4',6'-trimethoxychalcone","Ingredient_formula": "C18H18O5","Ingredient_Smile": "COC1=CC(=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)OC)OC)O","Ingredient_weight": "314.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9980;9981","PubChem_id": "90999308","DrugBank_id": "NA"}
(6aS,11aS)-6a-ethoxymedicarpin
{"Ingredient_id": "HBIN012232","Ingredient_name": "(6aS,11aS)-6a-ethoxymedicarpin","Alias": "NA","Ingredient_formula": "C18H18O5","Ingredient_Smile": "CCOC12COC3=C(C1OC4=C2C=CC(=C4)OC)C=CC(=C3)O","Ingredient_weight": "314.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41132","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44446826","DrugBank_id": "NA"}
