Exact Mass: 288.0845
Exact Mass Matches: 288.0845
Found 500 metabolites which its exact mass value is equals to given mass value 288.0845,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Shikonin
Shikonin is a hydroxy-1,4-naphthoquinone. Shikonin is a natural product found in Echium plantagineum, Arnebia hispidissima, and other organisms with data available. See also: Arnebia guttata root (part of); Arnebia euchroma root (part of); Lithospermum erythrorhizon root (part of). D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7]. Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7].
C.I. Natural Red 20
Red dye component of alkanet root extract used for colouring sausage casings, margarine, confectionery and wine. This extract, formerly FEMA 2016, has been removed from the FEMA GRAS (Generally Recognized As Safe) list. Not permitted in Germany. Japan approved Red dye component of alkanet root extract used for colouring sausage casings, margarine, confectionery and wine. This extract, formerly FEMA 2016, has been removed from the FEMA GRAS list. Not permitted in Germany. Japan approved. C.I. Natural Red 20 is a naphthoquinone. C.I. Natural Red 20 is a natural product found in Boraginaceae, Lithospermum erythrorhizon, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7]. Shikonin is a major component of a Chinese herbal medicine named zicao. Shikonin is a potent TMEM16A chloride channel inhibitor with an IC50 of 6.5 μM[1]. Shikonin is a specific pyruvate kinase M2 (PKM2) inhibitor[2] and can also inhibit TNF-α and NF-κB pathway[3]. Shikonin decreases exosome secretion through the inhibition of glycolysis[4]. Shikonin inhibits AIM2 inflammasome activation[7].
METHITURAL
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)-3-methoxybenzene-1,2-diol
11-Methoxyyangonin
11-Methoxyyangonin is found in beverages. 11-Methoxyyangonin is isolated from Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002 11-Methoxyyangonin is a natural kavalactone.
Hydroxyanigorufone
Pigment from Musa acuminata (dwarf banana). Hydroxyanigorufone is found in fruits, french plantain, and banana. Hydroxyanigorufone is found in banana. Hydroxyanigorufone is a pigment from Musa acuminata (dwarf banana
1-(2,4-dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Phlorin
Isolated from thyme (Thymus vulgaris) and from citrus fruit. Proposed marker for adulteration of orange juice with peel. Phlorin is found in many foods, some of which are pummelo, grapefruit, citrus, and sweet orange. Phlorin is found in citrus. Phlorin is isolated from thyme (Thymus vulgaris) and from citrus fruit. Proposed marker for adulteration of orange juice with pee
Glucosylisomaltol
Glucosylisomaltol is found in tea. Glucosylisomaltol is a constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). Constituent of the roots of Eleutherococcus senticosus (Siberian ginseng). Glucosylisomaltol is found in tea.
10-Methoxyyangonin
10-Methoxyyangonin is found in beverages. 10-Methoxyyangonin is a constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Constituent of Piper methysticum (kava). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). 10-Methoxyyangonin is found in beverages.
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
1-(3-methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman is a polyphenol compound found in foods of plant origin (PMID: 20428313)
5'-Methoxy-O-desmethylangolensin
5-Methoxy-O-desmethylangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6'-Hydroxyangolensin
6-Hydroxyangolensin is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
9-(2-Phosphonylmethoxyethyl)-2,6-diaminopurine
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
4-Methyl-1-(1,4,5,8-tetrahydroxynaphthalen-2-yl)pent-2-en-1-one
Libanoridin
Columbianetin acetate is an acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as a plant metabolite. It is a furanocoumarin and an acetate ester. Columbianetin acetate is a natural product found in Murraya siamensis, Murraya koenigii, and other organisms with data available. An acetate ester obtained by formal acetylation of the tertiary hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
Alkannin
Alkannin is a hydroxy-1,4-naphthoquinone. Alkannin is a natural product found in Arnebia hispidissima, Alkanna cappadocica, and other organisms with data available. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3]. (-)-Alkannin, found in Alkanna tinctoria, is used as a food coloring. (-)-Alkannin shows anticancer activity, arrests cell cycle, and induces apoptosis. (-)-Alkannin improves hepatic inflammation in a Rho-kinase pathway[1][2][3].
Dianthoside
1-Hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propan-2-one
4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
3,4-Dimethoxy-2,6,7-trihydroxy-9,10-dihydrophenanthrene
2,3-Dimethoxy-4,6,7-trihydroxy-9,10-dihydrophenanthrene
Columbianetin acetate
(S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (S)-Columbianetin acetate is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
Asebogenin
A member of the class of dihydrochalcones that is the 4-methyl ether derivative of phloretin.
3,4-Dihydro-1-(4-hydroxy-3-methoxyphenyl)-1H-2-benzopyran-6,7-diol
1-(2,4-Dihydroxy-3-methoxyphenyl)-3-(4-hydroxyphenyl)-1-propanone.
Loureirin D
Loureirin D is a natural product found in Dracaena cochinchinensis with data available.
2,3,4-Tri-Me ether-2,3,4,6-Tetrahydroxybenzophenone
7H-Furo(3,2-g)(1)benzopyran-7-one, 3,9-dimethoxy-2-(1-methylethyl)-
4-Hydroxy-8-Hydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3,-b]furan-9(4H)-one
.beta.-d-Fructofuranose, 1,3,4-tri-O-acetyl-2,6-anhydro-
(+)-ventiloquinone L|(1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4,5,10-tetrahydro-1H-naphtho[2,3-c]pyran-5,10-dione|(1R,3S)-9-hydroxy-7-methoxy-1,3-dimethyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione|ventiloquinone L|ventiloquinone-L
3-methoxybenzyl 2-hydroxy-6-methoxybenzoate|3-methoxybenzyl 2-hydroxy-6-methoxybenzoate
(S)-5,8-dihydroxy-6-(1-hydroxy-4-methyl-3-pentenyl)-1,4-naphthalenedione|alkannin|shikalkin
Angelicone
5,7-Dimethoxy-8-(3-methyl-2-butenoyl)-2-oxo-2H-chromene is a natural product found in Angelica sinensis, Angelica pubescens, and Angelica ursina with data available.
(3R,4S)-3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol|conferol A
(3R)-1-deoxyaustrocortilutein|(R)-1-Deoxyaustrocortilutein|1-deoxyaustrocortilutein
acetic acid 2-(7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl)propan-2-yl ester
2-Hydroxymethyl-5-methoxy-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
9,10-Dihydro-4,6-dimethoxyphenanthrene-2,3,7-triol
3(R)-2,3-dihydro-6-hydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-1-benzofuran|erythribyssin H
4,7-dimethoxy-1,2,5-trihydroxy-9,10-dihydrophenanthrene
3-Methyl-7,9-dimethoxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
(S)-Alanyl-(S)-3-((1R)-3-chloro-4-oxo-2-cyclohexen-1-yl)alanine|(S)-Alanyl-(S)-3-<(1R)-3-chloro-4-oxo-2-cyclohexen-1-yl>alanine|Chlorotetain
(alphaR)-alpha,2,4-trihydroxy-4-methoxydihydrochalcone|4-Me ether-(R)-1-(2,4-Dihydroxyphenyl)-2-hydroxy-3-(4-hydroxyphenyl)-1-propanone|4-methoxy-alpha,2,4-trihydroxydihydrochalcone
methyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate
3-hydroxybenzyl-2,6-dimethoxybenzoate|3-hydroxybenzyl 2,6-dimethoxybenzoate
5,12-dihydroxy-3-methoxy-dibenzyl-6-carboxylic acid|5,12-dihydroxy-3-methoxybibenzyl-6-carboxylic acid
2-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propanone|peapolyphenol A
((7S)-8-(benzo[3,4]dioxol-1-yl)-7-hydroxypropyl)benzene-2,4-diol
6-(4-acetoxy-3-methyl-2-butenyl)-7-hydroxycoumarin
methyl 2-(6-hydroxy-7-methyl-1,4-dioxodihydronaphthalen-2-yl)-2-methylpropanoate|trigonoheterone
2,4,6-trihydroxy-4-methoxydihydrochalcone|3-(2,6-dihydrox-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
(2S)-6,3,4-trihydroxy-7-methoxyflavan|griffinoid D
(E)-5-(3,5-dihydroxystyryl)-2-(2-hydroxyethyl)benzene-1,3-diol|gramistilbenoid A
3-hydroxy-5-methylphenyl-2-hydroxy-4-methoxy-6-methylbenzoate|evernol
5-Hydroxymethyl-6-endo-(3-methoxy-4-hydroxyphenyl)-8-oxa-bicyclo[3.2.1]-oct-3-en-2-one
2,6-dihydroxy-9-phenyl-1H-phenalen-1-one|2,6-dihydroxy-9-phenyl-1H-phenalene-1-one|2,6-dihydroxy-9-phenylphenalen-1-one|Lachnanthocarpan|Lachnanthocarpon|lachnanthocarpone|Lachuanthocarpon
8,8-Dimethyl-2-oxopyrano[6,5-f]chroman-9-yl acetate
3-(2,4-Dihydroxy-6-methoxybenzyl)-2,3-dihydrobenzofuran-6-ol
7-Methoxyhemigossypolon|Hemigossypolon-7-methyl-ether|hemigossypolone 6-methyl ether|hemigossypolone-6-metyl ether|p-hemigossypolone-6-methyl ether
9,10-Dihydro-6,7-dimethoxy-2,3,5-phenanthrenetriol
4(beta-D-glucopyranosyloxy)-6-methyl-2H-pyran-2-one
3-(4-Methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
1,11b-Dihydro-11b-hydroxymedicarpin
1,11b-Dihydro-11b-hydroxymedicarpin is a natural product found in Ononis viscosa with data available.
2,4-dihydroxy-9-phenyl-1H-phenalen-1-one|2,4-dihydroxy-9-phenyl-1H-phenalene-1-one|4-hydroxy-9-phenylphenalen-1-one|4-hydroxyanigorufone
3,4,5-Trimethyl-4,8-dihydroxy-7-methoxynaphtho[2,3-b]furan-9(4H)-one
2-Hydroxy-5-(2-hydroxy-4-methoxybenzyl)-4-methoxybenzaldehyde
8,9-dimethoxy-5-methylnaphtho<1,8-de>-1,3-dioxin-4-yl methyl ketone|ventilagone
1-oxo-4(S),9-dihydroxy-8-methoxy-6-hydroxymethyl-1,2,3,4-tetrahydroanthracene
Trimethylhispidin
11-Methoxyyangonin is an aromatic ether and a member of 2-pyranones. 11-Methoxyyangonin is a natural product found in Polygala sellowiana with data available. 11-Methoxyyangonin is a natural kavalactone.
2-Hydroxy-a-naphthoflavone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.316 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.318 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.322
methyl 4,5,6-trihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
C12H16O8_4H-Pyran-4-one, 3-(beta-D-glucopyranosyloxy)-2-methyl
2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000847476]
5,10-dimethoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one [IIN-based: Match]
1,1-Disulfanediyldiazepan-2-one
CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8416; ORIGINAL_PRECURSOR_SCAN_NO 8414 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8451; ORIGINAL_PRECURSOR_SCAN_NO 8448 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8464; ORIGINAL_PRECURSOR_SCAN_NO 8461 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8494; ORIGINAL_PRECURSOR_SCAN_NO 8492 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8498; ORIGINAL_PRECURSOR_SCAN_NO 8496 CONFIDENCE standard compound; INTERNAL_ID 503; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8509; ORIGINAL_PRECURSOR_SCAN_NO 8507
2-(2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl)propan-2-yl acetate_major
2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one_major
1-(3-Methoxy-4-hydroxy)-phenyl-6,7-dihydroxy-isochroman
11-Methoxyyangonin
11-Methoxyyangonin is a natural kavalactone.
Cimetidine hydrochloride
C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent > C29702 - Histamine-2 Receptor Antagonist D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
ethyl 4-acetyloxy-7-methoxynaphthalene-2-carboxylate
4-(TERT-BUTYL)-3-CHLORO-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
4-(TERT-BUTYL)-4-CHLORO-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
methyl 2-hydroxy-4-[(4-methoxyphenyl)methoxy]benzoate
5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid
Butanoic acid,4,4,4-trifluoro-3-oxo-2-(2-phenylhydrazinylidene)-, ethyl ester
1-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-ethanone
4-Methoxy-alpha-[(3-methoxyphenyl)thio]acetophenone
2-(3-fluoro-4-phenylphenyl)-2-methylpropanedioic acid
5-Formylbenzo[b]thiophene-2-boronic acid pinacol ester
UK-5099
UK-5099 (PF-1005023) is a potent inhibitor of the mitochondrial pyruvate carrier (MPC). UK-5099 (PF-1005023) inhibits pyruvate-dependent O2 consumption with an IC50 of 50 nM.
N-[2-amino-5-(phenylthio)phenyl]-2-methoxyacetamide
1-Butyl-3-methylimidazolium trifluoromethansulfonate
1,2-anhydro-alpha-D-glucopyranose 3,4,6-triacetate
3,3-DIMETHYL-1-(2-NITRO-4-(TRIFLUOROMETHYL)PHENYL)AZETIDIN-2-ONE
2-amino-N-(2-chlorophenyl)-2-(phenylhydrazinylidene)acetamide
2-benzylsulfanyl-7-hydroxy-6-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
3,6-Diphenyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
(S)-methyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate hydrochloride
1-(-)-CARBOXYMENTHYL-2,3:4,5-DI-O-CYCLOHEXYLIDENE-D-MYO-INOSITOL
methyl (E)-3-(3-nitrophenyl)-2-(1,2,4-triazol-1-ylmethyl)prop-2-enoate
2-(4-AMINO-PHENYL)-BENZO[DE]ISOQUINOLINE-1,3-DIONE
5-Methyl-2-(methylsulfonyl)-7-phenylimidazo[5,1-f][1,2,4]triazine
2-(3-CHLORO-4-METHOXY-PHENYL)-6-METHYL-2H-BENZOTRIAZOL-5-YLAMINE
6-Sulfanilamidoindazole
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-6-oxo-1,6-dihydropyridazine-3-carbohydrazide
1-Cyclohexyl-3-(1,1-dioxo-2,5-dihydrothiophen-3-yl)-1-methylthiourea
4-[(4-Chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Benzeneboronic acid, cyclic ((m-chlorophenoxy)methyl)ethylene ester
2,6-Diamino-8-(1H-imidazol-2-ylsulfanylmethyl)-3H-quinazoline-4-one
3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
Methyl 4,5,6-trihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)oxycyclohexene-1-carboxylate
N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-)
(3S,4R)-7,2-dihydroxy-4-methoxyisoflavanol
A 7,2-dihydroxy-4-methoxyisoflavanol that has 3S,4R configuration.
4-[(1E,3Z)-4-(4-Hydroxyphenyl)-2,3-diisocyano-1,3-butadien-1-yl]phenol
2-[(1R,3S)-9,10-dihydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid
2-Amino-7-hydroxy-8-oxido-6-(1,2,3-trihydroxypropyl)-3,5,6,7-tetrahydropteridin-4-one
4-Methyl-1-(1,4,5,8-tetrahydroxynaphthalen-2-yl)pent-2-en-1-one
7,2-Dihydroxy-4-methoxyisoflavanol
A member of the class of isoflavans that is isoflavan-4-ol substituted at positions 7 and 2 by hydroxy groups and at position 4 by a methoxy group.
Conferol A
A member of the class of isoflavans that is isoflavan with hydroxy substituents at positions 4, 7 and 4 and a methoxy group at position 2 (the 3R,4S stereoisomer). It is isolated from Caragana conferta and exhibits significant anti-inflammatory activity in the respiratory burst assay.
3-Deoxysappanol
A homoisoflavonoid that is 3,4-dihydro-2H-1-benzopyran substituted by hydroxy groups at positions 3, 4 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R,4S-stereoisomer). It has been isolated from Caesalpinia sappan.
3-Deoxyepisappanol
A homoisoflavonoid that is 3,4-dihydro-2H-1-benzopyran substituted by hydroxy groups at positions 3, 4 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R,4R-stereoisomer). It has been isolated from Caesalpinia sappan.
N-(2-carbamoylphenyl)-4-ethyl-5-methyl-3-thiophenecarboxamide
(3R)-6-hydroxy-7-methoxy-alpha-dunnione, (-)-
A natural product found in Streptocarpus dunnii.
(4-Hydroxyphenyl)-(2,4,6-trimethoxyphenyl)methanone
2-[2-(2-furanyl)-5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid methyl ester
2-[(3,4-Dimethyl-2-oxo-1-benzopyran-7-yl)oxy]acetic acid prop-2-enyl ester
2,3-Dihydro-1,4-dioxin-5-carboxylic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
N-[(Z)-6-Bicyclo[3.2.0]hept-3-enylideneamino]-2,4-dinitroaniline
CLONE_N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine
2-(3-methoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
2-(Hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2,3-dihydroxy-2-methylpropanamide
3,8-Dioxa-4,7-dioxocyclooctane-1,2-dicarboxylic acid diethyl ester
N-(indole-3-acetyl)-L-aspartate(2-)
An N-acyl-L-aspartate(2-) obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)-L-aspartic acid.
N-(3-carboxylatopropionyl)-LL-2,6-diaminopimelate(2-)
Dianion of N-succinyl-LL-2,6-diaminopimelic acid having anionic carboxy groups and an ionic primary amino group; major species at pH 7.3.
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
3-(2-Hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol
(3R)-7,2-dihydroxy-4-methoxyisoflavanol
A 7,2-dihydroxy-4-methoxyisoflavanol that has R configuration at position 3.
His-Pro (hydrochloride)
His-Pro hydrochloride is a dipeptide consisting of histidyl and proline.
3-[(1r)-1-hydroxyethyl]-5-methoxy-2-(2-oxopropyl)naphthalene-1,4-dione
5,6-dimethoxy-9,10-dihydrophenanthrene-1,4,7-triol
5,8-dihydroxy-6-[(1s)-1-hydroxy-4-methylpent-3-en-1-yl]naphthalene-1,4-dione
1-(2,4-dihydroxy-3-methoxyphenyl)-3-hydroxy-3-phenylpropan-1-one
(2s,3s)-8-hydroxy-3,4',5-trimethyl-3,4-dihydrospiro[cyclohepta[b]pyran-2,2'-furan]-3',7-dione
4,9-dihydroxy-8-(hydroxymethyl)-6-methoxy-3,4-dihydro-2h-anthracen-1-one
7,10-dihydroxy-1,3,8-trimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
5-hydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(3r,4s)-4,6,9-trihydroxy-8-methoxy-3-methyl-3,4-dihydro-2h-anthracen-1-one
4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-yl acetate
2-(hydroxymethyl)-5-methoxy-8,8-dimethylpyrano[2,3-f]chromen-4-one
(1r,2s,5s,5's)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-yl acetate
(2z,3z)-bis[(4-hydroxyphenyl)methylidene]butanedinitrile
2-[3-(2h-1,3-benzodioxol-5-yl)propanoyl]-3-hydroxycyclohex-2-en-1-one
3-(2,6-dihydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
2-hydroxy-6-[2-(4-hydroxyphenyl)ethyl]-4-methoxybenzoic acid
9-{[(2s)-2-hydroxy-3-methylbut-3-en-1-yl]oxy}-2h,3h-furo[3,2-g]chromen-7-one
1-(3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furan-2-yl)ethanone
(2e)-5-[(5r)-5-(2,5-dihydroxyphenyl)-2-oxo-5h-furan-3-yl]-2-methylpent-2-enal
2',3',7-trihydroxy-4'-methoxyisoflavan
{"Ingredient_id": "HBIN003936","Ingredient_name": "2',3',7-trihydroxy-4'-methoxyisoflavan","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "NA","Ingredient_weight": "288.3","OB_score": "NA","CAS_id": "201157-06-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8964","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxy-6-(11,12-dimethylstyryl)-2-pyrone
{"Ingredient_id": "HBIN010614","Ingredient_name": "4-methoxy-6-(11,12-dimethylstyryl)-2-pyrone","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13912","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-dimethoxyxanthyletin
{"Ingredient_id": "HBIN011345","Ingredient_name": "5,8-dimethoxyxanthyletin","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "CC1(C=CC2=C(C3=C(C(=C2O1)OC)OC(=O)C=C3)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6299","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxymethyl-6-endo-(3'-methoxy-4'-hydroxyphenyl)-8-oxa-bicyclo[3.2.1]-oct-3-en-2-one
{"Ingredient_id": "HBIN011702","Ingredient_name": "5-hydroxymethyl-6-endo-(3'-methoxy-4'-hydroxyphenyl)-8-oxa-bicyclo[3.2.1]-oct-3-en-2-one","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "COC1=CC(=CC(=C1CCC(=O)C2=CC=C(C=C2)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15887","TCMID_id": "10488","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-hydroxymethyl-6-endo-3'-methoxy-4'-hydroxyphenyl-8-oxa-bicyclo[3,2,1]-oct-3-en-2-one
{"Ingredient_id": "HBIN011703","Ingredient_name": "5-hydroxymethyl-6-endo-3'-methoxy-4'-hydroxyphenyl-8-oxa-bicyclo[3,2,1]-oct-3-en-2-one","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "COC1=C(C=CC(=C1)C2CC3C(=O)C=CC34C2(O4)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "31232","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aglaidithioduline
{"Ingredient_id": "HBIN014857","Ingredient_name": "aglaidithioduline","Alias": "NA","Ingredient_formula": "C12H20N2O2S2","Ingredient_Smile": "CSC=CC(=O)NCCCCNC(=O)C=CSC","Ingredient_weight": "288.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "736","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10266141","DrugBank_id": "NA"}
(?)-alkannin
{"Ingredient_id": "HBIN015180","Ingredient_name": "(?)-alkannin","Alias": "NA","Ingredient_formula": "C16H16O5","Ingredient_Smile": "CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "909","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
