Exact Mass: 314.13
Exact Mass Matches: 314.13
Found 500 metabolites which its exact mass value is equals to given mass value 314.13,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ranitidine
KEIO_ID R041; [MS2] KO009222 KEIO_ID R041; [MS3] KO009225 KEIO_ID R041; [MS3] KO009224 KEIO_ID R041
Ratic
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1945; ORIGINAL_PRECURSOR_SCAN_NO 1942 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1940; ORIGINAL_PRECURSOR_SCAN_NO 1938 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1950; ORIGINAL_PRECURSOR_SCAN_NO 1947 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1935; ORIGINAL_PRECURSOR_SCAN_NO 1932 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1990; ORIGINAL_PRECURSOR_SCAN_NO 1987 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1943; ORIGINAL_PRECURSOR_SCAN_NO 1940 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4078; ORIGINAL_PRECURSOR_SCAN_NO 4074 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4083; ORIGINAL_PRECURSOR_SCAN_NO 4078 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4111; ORIGINAL_PRECURSOR_SCAN_NO 4107 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4113; ORIGINAL_PRECURSOR_SCAN_NO 4111 CONFIDENCE standard compound; INTERNAL_ID 414; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4107; ORIGINAL_PRECURSOR_SCAN_NO 4106 CONFIDENCE standard compound; INTERNAL_ID 4121 INTERNAL_ID 4121; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1115 INTERNAL_ID 1115; CONFIDENCE standard compound
(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
Ranitidine
Ranitidine (CAS: 66357-35-5) is a non-imidazole blocker of histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers (PubChem). Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production and is commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac (Wikipedia). A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers. -- Pubchem; Ranitidine is a histamine H2-receptor antagonist that inhibits stomach acid production, and commonly used in the treatment of peptic ulcer disease (PUD) and gastroesophageal reflux disease (GERD). It is currently marketed by GlaxoSmithKline under the trade name Zantac. -- Wikipedia [HMDB] A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
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)
Litcubinine
Litcubinine is found in fruits. Litcubinine is an alkaloid from the roots of Litsea cubeba (mountain pepper
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.
N-[2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethanimidamide
3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-dihydrofuran-2-one
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
Molinate
Ranisen
Cyclopropyl-methoxycarbonyl metomidate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
Ratic
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) > A02BA - H2-receptor antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 196
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
methopromazine
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(3-((2-Morpholinoethyl)carbamoyl)phenyl)boronic acid hydrochloride
1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
4-(1-Phenyl-1H-benzimidazol-2-yl)phenylboronic acid
2-(4-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)NICOTINIC 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)-
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
2-[4-[(4-nitrophenyl)diazenyl]-N-(2,2,2-trideuterioethyl)anilino]ethanol
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
(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-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
N-cyclopentyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)
2-Hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
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
(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.
1-[[Oxo(3-pyridinyl)methyl]amino]-3-(4-propan-2-ylphenyl)thiourea
N-[(E)-[4-(4-Fluoroanilino)-4-oxobutan-2-ylidene]amino]pyridine-2-carboxamide
(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenylmethanol
N-[2-[(phenylmethyl)amino]-1,3-benzodioxol-2-yl]carbamic acid ethyl ester
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.
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
2-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
[(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
2-fluoro-N-[[(2R,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
2-fluoro-N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
[(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
(2S)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine
2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine
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
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"}
