Exact Mass: 230.079
Exact Mass Matches: 230.079
Found 500 metabolites which its exact mass value is equals to given mass value 230.079,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(R)-Kawain
Kawain is a member of 2-pyranones and an aromatic ether. Kavain is a natural product found in Piper methysticum, Alnus sieboldiana, and Piper majusculum with data available. See also: Piper methysticum root (part of). (R)-Kawain is found in beverages. (R)-Kawain is found in the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002). Found in the roots of kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002) D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. Kavain is a class of kavalactone isolated from Piper methysticum, which has anxiolytic properties in animals and humans. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor[1]. Kavain is a class of kavalactone isolated from Piper methysticum, which has anxiolytic properties in animals and humans. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor[1]. Kavain is a class of kavalactone isolated from Piper methysticum, which has anxiolytic properties in animals and humans. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor[1].
demethylsuberosin
Demethylsuberosin, also known as 7-hydroxy-6-prenylcoumarin or 7-hydroxy-6-prenyl-1-benzopyran-2-one, is a member of the class of compounds known as 7-hydroxycoumarins. 7-hydroxycoumarins are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. Demethylsuberosin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Demethylsuberosin can be found in a number of food items such as rice, apple, black radish, and cloudberry, which makes demethylsuberosin a potential biomarker for the consumption of these food products. 7-demethylsuberosin is a hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. It has a role as a plant metabolite. Demethylsuberosin is a natural product found in Prangos tschimganica, Limonia acidissima, and other organisms with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Demethylsuberosin (7-Demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai, and has anti-inflammatory activity[1]. Demethylsuberosin (7-Demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai, and has anti-inflammatory activity[1].
Osthenol
Osthenol is a hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group. It has a role as a plant metabolite and an antifungal agent. It is functionally related to an umbelliferone. Osthenol is a natural product found in Zanthoxylum beecheyanum, Prangos tschimganica, and other organisms with data available. Isolated from seeds of Apium graveolens. Osthenol is found in many foods, some of which are green vegetables, wild celery, fennel, and angelica. A hydroxycoumarin that is umbelliferone in which the hydrogen at position 8 has been replaced by a prenyl group. Osthenol is found in angelica. Osthenol is isolated from seeds of Apium graveolens. Osthenol (Ostenol), a prenylated coumarin isolated from the dried roots of Angelica pubescens, is selective, reversible, and competitive human monoamine oxidase-A (hMAO-A) inhibitor (Ki=0.26 μM). Osthenol potently inhibits recombinant hMAO-A with an IC50 of 0.74 μM and shows a high selectivity index for hMAO-A versus hMAO-B[1]. Osthenol (Ostenol), a prenylated coumarin isolated from the dried roots of Angelica pubescens, is selective, reversible, and competitive human monoamine oxidase-A (hMAO-A) inhibitor (Ki=0.26 μM). Osthenol potently inhibits recombinant hMAO-A with an IC50 of 0.74 μM and shows a high selectivity index for hMAO-A versus hMAO-B[1].
Naproxen
Naproxen (INN) is a non-steroidal anti-inflammatory drug (NSAID) commonly used for the reduction of mild to moderate pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, injury (like fractures), menstrual cramps, tendonitis, bursitis, and the treatment of primary dysmenorrhea. Naproxen and naproxen sodium are marketed under various trade names including: Aleve, Anaprox, Naprogesic, Naprosyn, Naprelan; Naproxen is a non-steroidal anti-inflammatory drug (NSAID) commonly used for the reduction of mild to moderate pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, injury (like fractures), menstrual cramps, tendonitis, bursitis, and the treatment of primary dysmenorrhea. Naproxen and naproxen sodium are marketed under various trade names including: Aleve, Anaprox, Naprogesic, Naprosyn, Naprelan. Naproxen was first marketed as the prescription drug Naprosyn in 1976 and naproxen sodium was first marketed under the trade name Anaprox in 1980. It remains a prescription-only drug in much of the world. The U.S. Food and Drug Administration (FDA) approved the use of naproxen sodium as an over-the-counter (OTC) drug in 1991, where OTC preparations are sold under the trade name Aleve. In Australia, small packets of lower-strength preparations of naproxen sodium are Schedule 2 Pharmacy Medicines; Naproxen is a member of the 2-arylpropionic acid (profen) family of NSAIDs. It is an odorless, white to off-white crystalline substance. It is lipid-soluble, practically insoluble in water with a low pH (below pH 4), while freely soluble in water at 6 pH and above. Naproxen has a melting point of 153 degree centigrade. Naproxen (INN) is a non-steroidal anti-inflammatory drug (NSAID) commonly used for the reduction of mild to moderate pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, injury (like fractures), menstrual cramps, tendonitis, bursitis, and the treatment of primary dysmenorrhea. Naproxen and naproxen sodium are marketed under various trade names including: Aleve, Anaprox, Naprogesic, Naprosyn, Naprelan; Naproxen is a non-steroidal anti-inflammatory drug (NSAID) commonly used for the reduction of mild to moderate pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, injury (like fractures), menstrual cramps, tendonitis, bursitis, and the treatment of primary dysmenorrhea. Naproxen and naproxen sodium are marketed under various trade names including: Aleve, Anaprox, Naprogesic, Naprosyn, Naprelan. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents KEIO_ID N018; [MS2] KO009075 D004791 - Enzyme Inhibitors KEIO_ID N018 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Dihydroresveratrol
A polyphenol metabolite detected in biological fluids [PhenolExplorer] Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1]. Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1].
Aucaparin
Aucuparin, also known as 3,5-dimethoxy-(1,1-biphenyl)-4-ol or 2,6-dimethoxy-4-phenylphenol, belongs to biphenyls and derivatives class of compounds. Those are organic compounds containing to benzene rings linked together by a C-C bond. Aucuparin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Aucuparin can be found in loquat and rowanberry, which makes aucuparin a potential biomarker for the consumption of these food products.
Demethylbatatasin IV
Demethylbatatasin IV is found in root vegetables. Demethylbatatasin IV is isolated from Dioscorea alata (greater yam), Dioscorea bulbifera (air potato) and Dioscorea rotundata (white guinea yam) infected with Botryodiplodia theobromae. Isolated from Dioscorea alata (greater yam), Dioscorea bulbifera (air potato) and Dioscorea rotundata (white guinea yam) infected with Botryodiplodia theobromae. Demethylbatatasin IV is found in root vegetables.
Dihydro-resveratrol
Dihydroresveratrol is a stilbenol that is 1,1-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4. It has a role as a xenobiotic metabolite and a plant metabolite. Dihydroresveratrol is a natural product found in Blasia pusilla, Dioscorea dumetorum, and other organisms with data available. A stilbenol that is 1,1-ethane-1,2-diyldibenzene with hydroxy groups at positions 1, 3 and 4. Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1]. Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1].
Visnagin
Visnagin is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It has a role as a phytotoxin, an EC 1.1.1.37 (malate dehydrogenase) inhibitor, a vasodilator agent, an antihypertensive agent, an anti-inflammatory agent and a plant metabolite. It is a furanochromone, an aromatic ether and a polyketide. It is functionally related to a 5H-furo[3,2-g]chromen-5-one. Visnagin is a natural product found in Ammi visnaga, Musineon divaricatum, and Actaea dahurica with data available. A furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
Pondaplin
Pondaplin is found in alcoholic beverages. Pondaplin is a constituent of the leaves of Annona glabra (pond apple). Constituent of the leaves of Annona glabra (pond apple). Pondaplin is found in alcoholic beverages and fruits.
Coriandrin
Constituent of Coriandrum sativum (coriander). Coriandrin is found in coriander and herbs and spices. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Coriandrin is found in coriander. Coriandrin is a constituent of Coriandrum sativum (coriander)
(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid
(2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid is found in mushrooms. (2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid is a amino acid from the basidiomycete Lactarius piperatus. Amino acid from the basidiomycete Lactarius piperatus. (2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid is found in mushrooms.
Wyeronic acid
Wyeronic acid is found in pulses. Wyeronic acid is isolated from Vicia faba. Isolated from Vicia faba. Wyeronic acid is found in pulses.
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole
(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole is a minor component of Caramel Colour II D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents
Prolyl-Aspartate
Prolyl-Aspartate is a dipeptide composed of proline and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Aspartyl-L-proline
High concentration of aspartyl-L-proline is found in the urine of patients with prolidase deficiency. Prolidase deficiency is an inborn error of metabolism which can cause mental retardation and severe skin ulcers in affected individuals. (Scrivers OMMBID; Wikipedia) [HMDB] High concentration of aspartyl-L-proline is found in the urine of patients with prolidase deficiency. Prolidase deficiency is an inborn error of metabolism which can cause mental retardation and severe skin ulcers in affected individuals. (Scrivers OMMBID; Wikipedia).
Aspartyl-Proline
Aspartyl-Proline is a dipeptide composed of aspartate and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid is found in garden tomato. 1-(gamma-Glutamylamino)cyclopropanecarboxylic acid is isolated from tomato fruit (Lycopersicon esculentum Isolated from tomato fruit (Lycopersicon esculentum). 1-(gamma-Glutamylamino)cyclopropanecarboxylic acid is found in garden tomato.
2',4'-Dihydroxy-2-biphenylcarboxylic acid
2,4-Dihydroxy-2-biphenylcarboxylic acid is found in herbs and spices. 2,4-Dihydroxy-2-biphenylcarboxylic acid is a constituent of Trifolium repens (white clover) (isolated as the permethyl derivative). Constituent of Trifolium repens (white clover) (isol. as the permethyl deriv.). 2,4-Dihydroxy-2-biphenylcarboxylic acid is found in tea, herbs and spices, and pulses.
Hydralazine pyruvate hydrazone
Hydralazine pyruvate hydrazone is a metabolite of hydralazine. Hydralazine (apresoline) is a direct-acting smooth muscle relaxant used to treat hypertension by acting as a vasodilator primarily in arteries and arterioles. By relaxing vascular smooth muscle, vasodilators act to decrease peripheral resistance, thereby lowering blood pressure and decreasing afterload. (Wikipedia)
(2-Quinoxalinylmethylene)hydrazinecarboxylic acid methyl ester
2',3'-Dideoxy-3'-fluorouridine
Naproxen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 202 D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Hydroxyplatyphyllide
7-Isopentenyloxycoumarin
7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1]. 7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1].
BENZANTHRONE
CONFIDENCE standard compound; INTERNAL_ID 12 CONFIDENCE standard compound; INTERNAL_ID 8282
(E)-3-[2,3-dihydro-2-(1-methylethenyl)-5-benzofuranyl]-2-propenoic acid
(S)-N-Glutamyl-(3-amino-2-methylenepropanoic acid)|gamma-L-glutamyl-alpha-methylene-beta-aminopropionic acid
3-Hydroxy -6-[2-(4-Hyroxyphenyl)-2H-pyran-2-one|6-(3,4-Dihydroxy-trans-styryl)-2-pyron
methyl 5alpha,6alpha-epoxy-1-hydroxy-2-methoxy-4-oxocyclohexanacetate
Ethanone, 1-(1-hydroxy-8-methoxy-3-methyl-2-naphthalenyl)-
2beta-(2,4-hexadiynoyl)-1,6-dioxaspiro<4.5>deca-3-ene|2beta-(2,4-hexadiynoyl)-1,6-dioxaspiro[4.5]deca-3-ene
2-[(Z)-2,4-hexadiynylidene]-7-hydroxymethyl-1,6-dioxaspiro[4.4]non-3-ene|dendrazawayne B
geleganoid A|octahydro-3,4a,7-trihydroxy-4-methyl-(2aR,3S,4S,4aS,7S,7aS,7bS)-1H-2,6-dioxacyclopent[cd]inden-1-one
jatamanin N|rel-(2R,3R,3aR,4S,6aR,7S,7aS)-octahydro-3-(hydroxymethyl)-2,4-epoxy-2H-cyclopenta[1,2-b:3,4-c?]difuran-3a,7-diol
6-Benzo[1,3]dioxol-5-yl-4-methyl-pyran-2-on|6-benzo[1,3]dioxol-5-yl-4-methyl-pyran-2-one
1-Hydroxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
3-hydroxy-2,5-dimethoxybiphenyl
A natural product found in Rhaphiolepis indica var. tashiroi.
7-Prenyloxycoumarin
7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1]. 7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1].
SARS-CoV MPro-IN-2
lenoremycin
7-Prenyloxycoumarin is a natural product found in Coleonema album, Haplopappus multifolius, and other organisms with data available. 7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1]. 7-Prenyloxycoumarin (7-O-Prenylumbelliferone) is a secondary metabolite from the endophytic fungus of Annulohypoxylon ilanense[1].
Dihydroseselin
Naproxen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AE - Propionic acid derivatives G - Genito urinary system and sex hormones > G02 - Other gynecologicals > G02C - Other gynecologicals > G02CC - Antiinflammatory products for vaginal administration D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2651 CONFIDENCE standard compound; INTERNAL_ID 8544 CONFIDENCE standard compound; INTERNAL_ID 4066
4-methoxy-7-methylfuro[3,2-g]chromen-5-one
7-hydroxy-8-(3-methylbut-2-enyl)chromen-2-one
Ostenol
Osthenol (Ostenol), a prenylated coumarin isolated from the dried roots of Angelica pubescens, is selective, reversible, and competitive human monoamine oxidase-A (hMAO-A) inhibitor (Ki=0.26 μM). Osthenol potently inhibits recombinant hMAO-A with an IC50 of 0.74 μM and shows a high selectivity index for hMAO-A versus hMAO-B[1]. Osthenol (Ostenol), a prenylated coumarin isolated from the dried roots of Angelica pubescens, is selective, reversible, and competitive human monoamine oxidase-A (hMAO-A) inhibitor (Ki=0.26 μM). Osthenol potently inhibits recombinant hMAO-A with an IC50 of 0.74 μM and shows a high selectivity index for hMAO-A versus hMAO-B[1].
Kavain
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Kawain is a member of 2-pyranones and an aromatic ether. Kavain is a natural product found in Piper methysticum, Alnus sieboldiana, and Piper majusculum with data available. See also: Piper methysticum root (part of). (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. (+)-Kavain, a main kavalactone extracted from Piper methysticum, has anticonvulsive properties, attenuating vascular smooth muscle contraction through interactions with voltage-dependent Na+ and Ca2+ channels[1]. (+)-Kavain is shown to bind at the α4β2δ GABAA receptor and potentiate GABA efficacy[2]. (+)-Kavain is used as a treatment for inflammatory diseases, its anti-inflammatory action has been widely studied[4]. Kavain is a class of kavalactone isolated from Piper methysticum, which has anxiolytic properties in animals and humans. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor[1]. Kavain is a class of kavalactone isolated from Piper methysticum, which has anxiolytic properties in animals and humans. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor[1]. Kavain is a class of kavalactone isolated from Piper methysticum, which has anxiolytic properties in animals and humans. Kavain positively modulated γ-Aminobutyric acid type A (GABAA) receptor[1].
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Visnagin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2]. Visnagin, an antioxidant furanocoumarin derivative, possess anti-inflammatory and analgesic properties. Visnagin has substantial potential to prevent Cerulein induced acute pancreatitis (AP). Visnagin possess promising vasodilator effects in vascular smooth muscles[1][2].
2,4,4-Trihydroxybenzophenone
CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3722 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3734; ORIGINAL_PRECURSOR_SCAN_NO 3730 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3744; ORIGINAL_PRECURSOR_SCAN_NO 3742 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3719; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3743; ORIGINAL_PRECURSOR_SCAN_NO 3740 CONFIDENCE standard compound; INTERNAL_ID 778; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3759
2,3,4-Trihydroxbenzophenone
A benzenetriol that is benzophenone in which one of the phenyl groups is substituted by hydroxy groups at positions 2, 3, and 4. It is a redox mediator. CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3722 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3734; ORIGINAL_PRECURSOR_SCAN_NO 3730 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3744; ORIGINAL_PRECURSOR_SCAN_NO 3742 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3719; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3743; ORIGINAL_PRECURSOR_SCAN_NO 3740 CONFIDENCE standard compound; INTERNAL_ID 1317; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3761; ORIGINAL_PRECURSOR_SCAN_NO 3759
3,4-dihydro-2,2-dimethyl-pyrano[3,2-c][2]benzopyran-6(2H)-one
1-(g-Glutamylamino)cyclopropanecarboxylic acid
Coriandrin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
1-(3-amino-3-carboxypropyl)-5-oxopyrrolidine-2-carboxylic acid
4-(5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)THIAZOL-2-YLAMINE
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoic acid
4-trans-Phenylcyclohexane-(1R,2-cis)-dicarboxylic anhydride
3-HYDROXY-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTACCHROMEN-6-ONE
5-amino-3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
5-amino-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
2-FLUORO-5-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
1,2-Propanediol,2-(4-methylbenzenesulfonate), (S)- (9CI)
4-Methoxy-6-piperazin-1-yl-pyrimidine hydrochloride
2-FLUORO-3-METHYL-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
N1-[[(4-METHYLPHENYL)SULFONYL]OXY]ETHANE-1,2-DIAMINE
Benzene,1,4-bis(chloromethyl)-2,3,5,6-tetramethyl-
4-(1-ETHYL-1H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1,2,5-OXADIAZOL-3-AMINE
Aminacrine HCl
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D009153 - Mutagens D000890 - Anti-Infective Agents
4-(4-HYDROXY-6-METHYL-2-OXO-2H-PYRIDIN-1-YL)-BUTYRIC ACID
3-(4,5,6,7-Tetrahydro-2H-indazol-3-yl)-propionic acid hydrochloride
1-(2-aminopyridin-4-yl)-2-(4-fluorophenyl)ethanone
Propanedioic Acid, 2-[[(Aminocarbonyl)Amino]Methylene]-,1,3-Diethyl Ester
4-Amino-5-methoxy-2-methylbenzenesulfon-N-methylamide
D-Glucose,2-amino-2-deoxy-, oxime, monohydrochloride (9CI)
4-thiophen-2-yl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
4-CHLORO-1,3-DIETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 4,5,6,7-tetrahydro-1H-benzo[d]imidazole-6-carboxylate hydrochloride
1-OXO-2,3,4,9-TETRAHYDRO-1H-B-CARBOLINE-6-CARBOXYLIC ACID
Benzene,1,2-bis(chloromethyl)-3,4,5,6-tetramethyl-
ETHYL1-TERT-BUTYL-5-CHLORO-1H-PYRAZOLE-4-CARBOXYLATE
3-Amino-3-(2-chloro-6-fluorophenyl)-N-methylpropanamide
9-OXO-1,2,3,9-TETRAHYDRO-PYRROLO[2,1-B]QUINAZOLINE-6-CARBOXYLIC ACID
2-Oxo-1-(pyridin-3-ylmethyl)-1,2-dihydropyridine-3-carboxylic acid
2H-1-Benzopyran-2-one,4,8-dimethyl-7-(2-propen-1-yloxy)-
5-FLUORO-3-METHYL-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
6,7-Dimethoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
1H-Indole,7-chloro-2,3-dihydro-2-(3-pyridinyl)-(9CI)
4-amino-5-methoxy-2-methyl-N-methylbenzene sulfonamide
4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
5-FLUORO-4-(IMIDAZO[1,2-B]PYRIDAZIN-3-YL)PYRIMIDIN-2-AMINE
Benzenemethanaminium,N,N,N-trimethyl-4-nitro-, chloride (1:1)
(S)-Methyl 2-amino-3-(5-methylpyridin-2-yl)propanoate hydrochloride
1,3-Benzodioxole-4-carboxaldehyde, 7-(4-methyl-1H-imidazol-1-yl)
(2-Amino-4-(imino(methoxy)methyl)phenyl)boronic acid hydrochloride
1-(3-Fluorophenyl)homopiperazine monohydrochloride
(2-Quinoxalinylmethylene)hydrazinecarboxylic acid methyl ester
L-Ergothionine hydrochloride
D020011 - Protective Agents > D000975 - Antioxidants
8-Hydroxy-6-methyl-2,3-dihydrocyclopenta[b]chromene-1,9-dione
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
58436-28-5
Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1]. Dihydroresveratrol, a potent phytoestrogen, is a hormone receptor modulator. Dihydroresveratrol exhibits proliferative effects in androgen-independent prostate and breast cancer cells at picomolar and nanomolar concentrations[1].
3-[(2-Aminoethyl)sulfanyl]-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying an additional (2-aminoethyl)sulfanyl substituent at position 3. An intermediate in the biosynthesis of carbapenem.
2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid
Bis-(4-hydroxybenzyl)ether
An ether in which the oxygen atom is linked to two 4-hydroxybenzyl groups. It is isolated from the tubers of Gastrodia elata and acts as a platelet aggregation inhibitor.
3-Phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
2-(phenylmethylthio)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
4-Methyl-N-[(E)-phenylmethylidene]-1,2,5-oxadiazole-3-carbohydrazide
Nocardione A
A naphthofuran that is 2,3-dihydronaphtho[1,2-b]furan-4,5-dione substitutd by a hydroxy group at position 6 and a methyl group at position 2. It is isolated from Norcardia sp.TC-A0248 and acts as a protein tyrosine phosphatase inhibitor.
2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid
(2Z)-2-(phthalazin-1-ylhydrazinylidene)propanoic acid
2-(5H-[1,2,4]triazolo[5,1-a]isoindol-2-yl)ethanethioamide
(2S)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-3-ium-4-yl)-2-(trimethylazaniumyl)propanoate
3-Amino-7-methoxy-3,5-dihydro-pyrimido[5,4-b]indol-4-one
2-(Cyclopropylcarbonyl)-3-(4-fluoroanilino)acrylonitrile
2H,5H-Pyrano(3,2-C)(1)benzopyran-5-one, 3,4-dihydro-2,2-dimethyl-
3-(5-Oxooxolan-2-yl)propanoic acid, TMS derivative
Demethylsuberosin
7-demethylsuberosin is a hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. It has a role as a plant metabolite. Demethylsuberosin is a natural product found in Prangos tschimganica, Limonia acidissima, and other organisms with data available. A hydroxycoumarin that is 7-hydroxycoumarin which is substituted at position 6 by a 3-methylbut-2-en-1-yl group. A natural product found in Citropsis articulata. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Demethylsuberosin (7-Demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai, and has anti-inflammatory activity[1]. Demethylsuberosin (7-Demethylsuberosin) is a coumarin compound isolated from Angelica gigas Nakai, and has anti-inflammatory activity[1].
(R)-Kawain
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
(2S,3S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid
1-(gamma-Glutamylamino)cyclopropanecarboxylic acid
3,3,5-Trihydroxybibenzyl
A diphenylethane that is 1,2-dihydrostilbene substituted by hydroxy groups at positions 3, 3 and 5.
ergothioneine(1+)
An alpha-amino-acid cation obtained by protonation of the imidazole ring of ergothioneine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Resveratrol analog 1
Resveratrol analog 1 is an analog of Resveratrol (HY-16561), compound 48. Resveratrol is?a natural polyphenolic phytoalexin that possesses anti-oxidant, anti-inflammatory, cardioprotective, and anti-cancer properties.
(1s,4r,5s,6s,7s,10s,11s)-5,7,10-trihydroxy-6-methyl-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undecan-2-one
4-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]phenol
(2e,5s,7s)-2-(hexa-2,4-diyn-1-ylidene)-7-methoxy-1,6-dioxaspiro[4.4]non-3-ene
(7s)-3,7-diamino-2-methylidene-4-oxooctanedioic acid
2-(hexa-2,4-diyn-1-ylidene)-7-methoxy-1,6-dioxaspiro[4.4]non-3-ene
8a-methyl-3-methylidene-3ah,4h,9h,9ah-naphtho[2,3-b]furan-2,6-dione
(1r,11r)-7-hydroxy-11-(prop-1-en-2-yl)-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7-trien-3-one
8-hydroxy-3-isopropyl-7-methylnaphthalene-1,2-dione
(8r)-4,8,12-trimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),4,9(13),10-tetraen-3-one
(5r,8r)-2-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.5]dec-3-en-8-ol
(1r,2s,4z,5s)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxane]
2-(2,4-hexadiynylidene)-3,4-epoxy-1,6-dioxaspiro[4.5] decane
{"Ingredient_id": "HBIN003660","Ingredient_name": "2-(2,4-hexadiynylidene)-3,4-epoxy-1,6-dioxaspiro[4.5] decane","Alias": "NA","Ingredient_formula": "C14H14O3","Ingredient_Smile": "NA","Ingredient_weight": "230.263","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9080","PubChem_id": "NA","DrugBank_id": "NA"}
4-[(4-hydroxyphenyl)methoxy]benzenemethanol
{"Ingredient_id": "HBIN009963","Ingredient_name": "4-[(4-hydroxyphenyl)methoxy]benzenemethanol","Alias": "NA","Ingredient_formula": "C14H14O3","Ingredient_Smile": "C1=CC(=CC=C1CO)OCC2=CC=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10626","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
