Exact Mass: 314.136857
Exact Mass Matches: 314.136857
Found 500 metabolites which its exact mass value is equals to given mass value 314.136857,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chalepin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Ranitidine
C13H22N4O3S (314.14125420000005)
KEIO_ID R041; [MS2] KO009222 KEIO_ID R041; [MS3] KO009225 KEIO_ID R041; [MS3] KO009224 KEIO_ID R041
Ratic
C13H22N4O3S (314.14125420000005)
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
Ranitidine
C13H22N4O3S (314.14125420000005)
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
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is isolated from Citrus hassaku juice oil. Isolated from Citrus hassaku juice oil. 7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one is found in citrus.
Gibberellin A120
Gibberellin A120 (GA120) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A120 is found in fruits. Gibberellin A120 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A120 is found in fruits and peach.
Litcubinine
Litcubinine is found in fruits. Litcubinine is an alkaloid from the roots of Litsea cubeba (mountain pepper
Menadiol dibutyrate
Prothrombogenic vitamin. Prothrombogenic vitamin
N-[2-[[5-[(Dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-N'-methyl-2-nitroethanimidamide
C13H22N4O3S (314.14125420000005)
3-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-dihydrofuran-2-one
C15H17F3N2O2 (314.12420579999997)
Dehydrocrotonin
Methyl 6,7-dimethoxy-4-ethyl-beta-carboline-3-carboxylate
Molinate
Ranisen
C13H22N4O3S (314.14125420000005)
Cyclopropyl-methoxycarbonyl metomidate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018755 - GABA Agonists
Ratic
C13H22N4O3S (314.14125420000005)
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
7-(5-hydroxy-3,7-dimethylocta-2,6-dienyloxy)-chromen-2-one
(E)-6-Hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde
7-[(3-Methyl-2-butenyl)oxy]-8-(3,3-dimethyloxiranylmethyl)-2H-1-benzopyran-2-one
(+)-7-(3-Methylbut-2-enyloxy)-8-(2-hydroxy-3-methylbut-3-enyl)coumarin
(+)-7-(3-Methylbut-2-enyloxy)-8-(4-hydroxy-3-methylbut-2-enyl)coumarin
2-(2,3-Dihydroxy-3-methylbutyl)-5-(2-phenylethenyl)-1,3-benzenediol
1,1-(2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-diyl)diethanone
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one
8-geranyl-7-hydroxycoumarin|8-geranyloxy-7-hydroxycoumarin
erythro-1-(4-hydroxyphenyl)-2-(2-methoxy-4-(E)-propenylphenoxy)-propan-1-ol|erythro-1-(4-hydroxyphenyl)-2-<2-methoxy-4-(E)-propenylphenoxy>-propan-1-ol
1alpha,2alpha,3alpha,4alpha,10alpha-Pentahydroxyguaia-11(13)ene-12,6alpha-olide
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-6-en-3-ol
5-geranyloxy-7-hydroxycoumarin|5-geranyloxy-7-methoxycoumarin
(+)-(6R,2E)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 coumarine|(+)-epoxy-6,7-auraptene|(+/-)-epoxy-6,7 dimethyl-3,7 octene-2 oxy-7 cumarine|(+/-)-epoxyaurapten|(E)-7-<<5-(3,3-dimethyloxiranyl)-3-methyl-2-pentenyl>oxy>-2H-1-benzopyran-2-one|(R)-(+)-aurapten-6,7-epoxyde|(R)-7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|6,7-Epoxyauraptene|7-(6,7-epoxygeranyloxy)coumarin|7-[5-(3,3-dimethyloxiranyl)-3-methylpent-2E-enyloxy]chromen-2-one|7-{[(E)-5-(3,3-dimethyl-2-oxiranyl)-3-methyl-2-pentenyl]oxy}-2H-chromen-2-one|Epoxyaurapten|epoxyauraptene|geranyl umbelliferone monoepoxide
6-(6-hydroxy-3,7-dimethylocta-2,7-dienyl)-7-hydroxycoumarin
Di-Ac-(Z)-1,9,14-Pentadecatriene-4,6-diyne-3,8-diol
1-(4-hydroxyphenyl)-2-propanol 4-O-beta-D-glucopyranoside
5-oxo-6,7-dihydroaureptene|7-(3,7-dimethyl-6-oxo-(2E)-2-octenyloxy)coumarin|7-<3,7-dimethyl-6-oxo-(2E)-2-octenyloxy>coumarin
3-(3,3-dimethylallyl)-marmesin|dl-3-(3,3-dimethylallyl)marmesin
(+-)-Latifolin-dimethylether|(+-)-Latifolindimethylether|2,5-Dihydro-2-methoxy-2,5-di-O-methyl-dalbergion|Latifolin-dimethylether|Latifolindimethylether
(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
2,3-trans-3,4-cis-4,5-cis-5-(4-Hydroxyphenyl)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethyltetrahydrofuran
(4E,6Z,12E)-3-O-(3-Methyl-2-butenoyl)-4,6,12-Tetradecatriene-8,10-diyne-1,3,14-triol,
(2R,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-3-methylbenzofuran|3-Methoxy-2,3-Dihydro-2-(4-hydroxyphenyl)-5-(e-hydroxypropyl)-3-methylbenzofuran
13,15-Diacetoxy-pentadecatrien-(2t,8t,10t)-diin-(4,6)|Centaur X(2)|Centaur X2
Neocryptotanshinone
Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
1alpha-hydroxypseudoanisatin|1??-Hydroxypseudoanisatin
3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-1-benzopyran-4-one|3,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one|eryvarin X
4-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)-2,3-dimethylbutan-1-one
(8R,8S)-7-(3,4-methylenedioxyphenyl)-8,8-dimethyl-7-(3,4-dihydroxyphenyl)-butane
1,5-epoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
(3S)-2-(4-hydroxyphenyl)ethyl 3-hydroxy-5-phenylpentanoate|(3S)-3-hydroxy-5-phenylpentanoic acid 2-(4-hydroxyphenyl)ethyl ester
1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-one|muricarpin
1-(4-methoxy-2,5-dimethylphenyl)-beta-D-glucopyranose|dunnianoside H
(1R,3R,5R)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyheptane
1,13,14-trihydroxy-3,4-anhydrofloridanolide|dunnianolide B
(??)-3鈥樎?6鈥樎?Epoxycycloauraptene|3鈥樎?6鈥樎?Epoxycycloauraptene
(11)7,14-ortholactone of 14-hydroxy-3-oxofloridanolide
(E)-6-(7-hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin|7-Hydroxy-6-(7-hydroxy-3,7-dimethyl-2,5-octadienyl)-2H-1-benzopyran-2-one
5,7-Dihydroxy-8-lavandulyl-4H-1-benzopyran-4-one|exiguachromone A
7-O-(3-Methyl-2-butenyl)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
(4E)-1,5-bis(4-hydroxyphenyl)-2-(methoxymethyl)-4-penten-1-ol
NCI60_031207
1-hydroxy-2-[(2R)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione is a natural product found in Salvia miltiorrhiza with data available. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2]. Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways[1][2].
Anisocoumarin H
Anisocoumarin H is a natural product found in Esenbeckia grandiflora and Zanthoxylum rhoifolium with data available.
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
4-(7-hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
(2S)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
C19H22O4_(2R,3R,4aS,5R,8aS)-5-(3-Furyl)-2,5-dimethyl-4,4a,8,8a-tetrahydro-2H-spiro[furan-3,1-naphthalene]-4,7(3H,5H)-dione
6-(1,1-Dimethylallyl)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-G]chromen-7-one
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based on: CCMSLIB00000846659]
5-hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one [IIN-based: Match]
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]
7-[(2E)-5-hydroxy-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000848851]
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
2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)-2,3-dihydrofuro[3,2-g]chromen-7-one_major
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-one_major
7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]chromen-2-one_major
6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE_major
gibberellin A120
7-(6R-Hydroxy-3,7-dimethylocta-2,5-dienyl)-7-hydroxycoumarin
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-3-heptanone
Pimefylline
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
tert-Butoxycarbonyl-L-valine N-hydroxysuccinimide ester
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
Benzoic acid, 4-(hexyloxy)-, 4-hydroxyphenyl ester
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
[4-(2-Phenyl-1H-benzimidazol-1-yl)phenyl]-boronic acid
2-[4-(4-chlorophenyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
diethyl 2-(3-phenylprop-2-ynyl)-2-prop-2-enylpropanedioate
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
C16H18N4O3 (314.13788380000005)
methyl (E)-2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-3-phenylprop-2-enoate
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
1,3-Di(p-tolyl)-1,1,3,3-tetramethyldisiloxane, 94\\%
(R,R)-(+)-1-(1-Naphthyl)-2-(2-naphthyl)-1,2-ethanediol
[3-(9,9-Dimethyl-9H-fluoren-2-yl)phenyl]boronic acid
7,8-Bis[(3-methyl-2-buten-1-yl)oxy]-2H-1-benzopyran-2-one
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
MAZ51
C21H18N2O (314.14190579999996)
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
4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 respectively. It has been isolated from the rhizomes of Curcuma comosa.
N-[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]-2-pyrazinecarbohydrazide
C16H18N4O3 (314.13788380000005)
7-[[(2E,5E)-7-Hydroxy-3,7-dimethyl-2,5-octadienyl]oxy]-2H-1-benzopyran-2-one
N-[2-(Diethylamino)ethyl]-2-hydroxy-5-(methylsulfonyl)benzamide (Desmethyltiapride)
C14H22N2O4S (314.13002120000004)
2-Hydroxy-5-{[(1E)-2-phenylethylidene]amino}-L-tyrosine
4-(7-Hydroxy-6-methoxy-2,3-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,2-diol
11-Methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(+)-(7S,8S,8S)-3,4,4-trihydroxy-5-methoxy-2,7-cyclolignan
A lignan that is 1,2,3,4-tetrahydronaphthalene substituted by methyl groups at positions 2 and 3, a hydroxy group at position 7, a methoxy group at position 6 and a 3,4-dihydroxyphenyl group at position 1. It has been isolated from the bark of Machilus robusta.
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(E)-N-(4-Methylpiperazin-1-yl)-1-[5-(4-nitrophenyl)furan-2-yl]methanimine
C16H18N4O3 (314.13788380000005)
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenylmethanol
C21H18N2O (314.14190579999996)
1-(2,5-Dimethoxyphenyl)sulfonyl-4-ethylpiperazine
C14H22N2O4S (314.13002120000004)
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
C18H16F2N2O (314.12306299999995)
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
C12H18N4O6 (314.12262880000003)
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
C12H18N4O6 (314.12262880000003)
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
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
(2S)-3-(2-methoxyphenothiazin-10-yl)-N,2-dimethylpropan-1-amine
2-(3,4-dichlorophenyl)-N-methyl-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
C16H24Cl2N2 (314.13164439999997)
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
Chalepin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
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.
7-[(6-Hydroxy-3,7-dimethyl-2,7-octadienyl)oxy]-2H-1-benzopyran-2-one
2,3-Dehydro-gibberellin A9
A C19-gibberellin obtained by formal dehydrogenation across the 2,3-position of gibberellin A9.
Antrodin A
Antrodin A is one of the main active ingredients in the solid-state fermented A. camphorate mycelium. Antrodin A protects the liver from alcohol damage by improving the antioxidant and anti-inflammatory capacity of the liver and maintaining the stability of the intestinal flora[1].
2-[(1r,2s,4s,5r,6r)-5-[(1s)-1-carboxy-1-hydroxyethyl]-2-ethenyl-4,6-dihydroxy-2-methylcyclohexyl]prop-2-enoic acid
(9r,11r)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
4-[3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
9h-pyrido[3,4-b]indole-3-carboxylic acid; methyl isobutyrate
1-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]propane-1,3-diol
1-[2-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
1-[(1r,4s,4as,8as)-2-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
3a-chloro-2-(2-hydroxypropan-2-yl)-6-(3-methylbuta-1,3-dien-1-ylidene)-hexahydro-1-benzofuran-4,5-diol
7-{[(2e)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}chromen-2-one
(6r)-6-[(1e,4r,6r,7e)-4,6-dihydroxy-8-phenylocta-1,7-dien-1-yl]-5,6-dihydropyran-2-one
4-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}pentane-1,2,3,5-tetrol
1-[(1r,2s,3r,8ar)-2-(2h-1,3-benzodioxol-5-yl)-3-hydroxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
4-[5-hydroxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-en-1-yl]phenol
4-[(3r,6e)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
7-{[(2e)-5-[(2s)-3,3-dimethyloxiran-2-yl]-3-methylpent-2-en-1-yl]oxy}chromen-2-one
1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
7-{[(3s,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
7-{[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dien-1-yl]oxy}chromen-2-one
(10r,12r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,10,12-triol
1-hydroxy-2-[(2s)-1-hydroxypropan-2-yl]-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-3,4-dione
4-[(3s,6e)-3-hydroxy-7-(4-hydroxyphenyl)hept-6-en-1-yl]benzene-1,2-diol
(1s,5r,8s,9s,10r,11r)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-2-ene-9-carboxylic acid
(12r,14r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12,14-triol
7-{[(1r,5r)-5-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]methoxy}chromen-2-one
7-{[(2e)-3,7-dimethyl-6-oxooct-2-en-1-yl]oxy}chromen-2-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
3-{[2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-5-methylphenol
(9r,11s)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
(2s,3r,4s,5s,6r)-2-{2-[(1s)-1-hydroxyethyl]-3-methylphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r,8s,9z)-3-(acetyloxy)pentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
(4ar)-6-hydroxy-5-methoxy-1,1,4a,7-tetramethyl-3,4-dihydrophenanthrene-2,9-dione
7-{[(1s,3r)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]methoxy}chromen-2-one
(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
1-[4-hydroxy-2-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutan-2-one
(3r,5z,7e,13e)-1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
7-{[(3z,5e)-7-hydroxy-3,7-dimethylocta-3,5-dien-1-yl]oxy}chromen-2-one
(12s,14r)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12,14-triol
2-(4-hydroxyphenyl)-4-methoxy-5-methyl-3,4,5,6-tetrahydro-2h-1-benzoxocin-9-ol
2-[3-(acetyloxy)-5,8-dimethylnaphthalen-2-yl]propan-2-yl acetate
7-{[(3r,4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
4,12,13-trihydroxy-9-(hydroxymethyl)-6,10-dimethyl-3,14-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁹]tetradecan-5-one
12-senecioyl-2E,8E,10E-atractylentriol
{"Ingredient_id": "HBIN000978","Ingredient_name": "12-senecioyl-2E,8E,10E-atractylentriol","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "62.39646702","CAS_id": "113269-39-9","SymMap_id": "SMIT02709","TCMID_id": "NA","TCMSP_id": "MOL000020","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyne-1,14-diol
{"Ingredient_id": "HBIN000979","Ingredient_name": "12-senecioyloxy-2,8,10-tetradecatriene-4,6-diyne-1,14-diol","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "NA","CAS_id": "113269-39-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9341","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
4,6,12-tetradecatriene-8,10-diyne-1,3,14-triol,9ci; (4e,6z,12e)-form,3-o-(3-methyl-2-butenoyl)
{"Ingredient_id": "HBIN010049","Ingredient_name": "4,6,12-tetradecatriene-8,10-diyne-1,3,14-triol,9ci; (4e,6z,12e)-form,3-o-(3-methyl-2-butenoyl)","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "NA","Ingredient_weight": "314.38","OB_score": "NA","CAS_id": "113269-38-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7909","PubChem_id": "NA","DrugBank_id": "NA"}
α,α'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
{"Ingredient_id": "HBIN015347","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene","Alias": "NA","Ingredient_formula": "C19H22O4","Ingredient_Smile": "CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5725","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,6a,7,8,9-pentahydroxy-6,9-dimethyl-3-methylidene-hexahydro-3ah-azuleno[4,5-b]furan-2-one
(6r)-6-[(1e,4s,6r,7e)-4,6-dihydroxy-8-phenylocta-1,7-dien-1-yl]-5,6-dihydropyran-2-one
7-{[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}chromen-2-one
3-{[(2r)-2-(2-hydroxypropan-2-yl)-6-methyl-2,3-dihydro-1-benzofuran-4-yl]oxy}-5-methylphenol
8-(2-hydroxy-3-methylbut-3-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxychromen-4-one
(2r)-2-(2-hydroxypropan-2-yl)-6-(2-methylbut-3-en-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
7-{[(4e)-3-hydroxy-3,7-dimethylocta-4,6-dien-1-yl]oxy}chromen-2-one
(7s,12ar)-2,9,10-trihydroxy-3-methoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium
7-{[(2z)-5-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]oxy}chromen-2-one
(3r,8s)-3-(acetyloxy)pentadeca-1,9,14-trien-4,6-diyn-8-yl acetate
8-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-7-hydroxychromen-2-one
(1'r,3s,4's,7'r,8's)-6'-hydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one
5-[2-(3,5-dihydroxyphenyl)ethyl]-3-(3-methylbut-2-en-1-yl)benzene-1,2-diol
4-[(1e,4s,5s)-5-hydroxy-5-(4-hydroxyphenyl)-4-(methoxymethyl)pent-1-en-1-yl]phenol
(9s,11s)-tricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,11,17-tetrol
(1r,2r,8s,9s,10r)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid
4-(furan-3-yl)-4a,7-dimethyl-4h,5h,6h,6ah,7h,9h,10h,10ah-cyclohexa[f]isochromene-2,8-dione
8-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxychromen-2-one
(1r,2s,5s,6r,10r,13r)-2,5,10,13-tetrahydroxy-2,6,13-trimethyl-8-oxatricyclo[4.4.3.0¹,⁵]tridecane-9,12-dione
5,7-dihydroxy-6,8-bis(3-methylbut-2-en-1-yl)chromen-4-one
2-(3-hydroxy-3-methylbutyl)-5-[(1e)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
(1r,2r,5r,8s,9s,10r,11r)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-13-ene-9-carboxylic acid
6-(4,6-dihydroxy-8-phenylocta-1,7-dien-1-yl)-5,6-dihydropyran-2-one
(3r)-1-(acetyloxy)pentadeca-5,7,13-trien-9,11-diyn-3-yl acetate
(2r,4ar,5'r,8as)-5'-(furan-3-yl)-2,5-dimethyl-2,3,4,4a,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-2',7-dione
(2e,5r,8s)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl 3-methylbutanoate
2-(4-hydroxyphenyl)ethyl (3s)-3-hydroxy-5-phenylpentanoate
7-hydroxy-6-[(2e,6r)-6-hydroxy-3,7-dimethylocta-2,7-dien-1-yl]chromen-2-one
8-[(2r)-2-hydroxy-3-methylbut-3-en-1-yl]-7-[(3-methylbut-2-en-1-yl)oxy]chromen-2-one
(2e,5s,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-yl 3-methylbutanoate
5-(2-{4-hydroxy-4-[(3-methylbut-2-en-1-yl)oxy]cyclohexa-1,5-dien-1-yl}ethenyl)benzene-1,3-diol
1-{5-methoxy-2,2,8,8-tetramethylpyrano[3,2-g]chromen-10-yl}ethanone
(2s,5as,7s,9as)-7-bromo-2-ethyl-3,6,6,9a-tetramethyl-2,5,5a,7,8,9-hexahydro-1-benzoxepine
C16H27BrO (314.12451519999996)