Exact Mass: 286.0987
Exact Mass Matches: 286.0987
Found 500 metabolites which its exact mass value is equals to given mass value 286.0987,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gastrodin
Gastrodin is a glycoside. Gastrodin is a natural product found in Cyrtosia septentrionalis, Dactylorhiza hatagirea, and other organisms with data available. See also: Gastrodia elata tuber (part of). Gastrodin, a main constituent of a Chinese herbal medicine Tianma, has been known to display anti-inflammatory effects. Gastrodin, has long been used for treating dizziness, epilepsy, stroke and dementia. Gastrodin, a main constituent of a Chinese herbal medicine Tianma, has been known to display anti-inflammatory effects. Gastrodin, has long been used for treating dizziness, epilepsy, stroke and dementia.
Salicin
Salicin, also known as salicoside or delta-salicin, is an aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as a prodrug, an antipyretic, a non-narcotic analgesic, a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a metabolite. It is an aryl beta-D-glucoside, an aromatic primary alcohol and a member of benzyl alcohols. It derives from a salicyl alcohol. Salicin belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Salicin exists in all living organisms, ranging from bacteria to humans. Salicin is a bitter tasting compound. Salicin is an aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as a prodrug, an antipyretic, a non-narcotic analgesic, a non-steroidal anti-inflammatory drug, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a metabolite. It is an aryl beta-D-glucoside, an aromatic primary alcohol and a member of benzyl alcohols. It is functionally related to a salicyl alcohol. Salicin is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Salicin is a natural product found in Salix candida, Populus tremula, and other organisms with data available. Salicin is an alcoholic β-glycoside that contains D-glucose. Salicin is an anti-inflammatory agent that is produced from willow bark. Salicin is closely related in chemical make-up to aspirin and has a very similar action in the human body. When consumed by humans, Salicin is metabolized into salicylic acid. [HMDB] An aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors Salicin is a natural COX inhibitor. Salicin is a natural COX inhibitor.
Ethofumesate
CONFIDENCE standard compound; INTERNAL_ID 2536 CONFIDENCE standard compound; INTERNAL_ID 8400 CONFIDENCE standard compound; INTERNAL_ID 4016 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Benzo[a]pyrene-7,8-diol
This compound belongs to the family of Pyrenes. These are compounds containing a pyrene moiety, which consists four fused benzene rings, resulting in a flat aromatic system.
Dihydroglycitein
Dihydroglycitein is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6alpha-Hydroxymedicarpin
6alpha-Hydroxymedicarpin is found in fruits. 6alpha-Hydroxymedicarpin is isolated from fungus-infected leaves of Melilotus alba (white melilot).
3-Hydroxybenzyl alcohol glucoside
3-Hydroxybenzyl alcohol glucoside is found in fruits. 3-Hydroxybenzyl alcohol glucoside is a constituent of Sambucus nigra (elderberry). Constituent of Sambucus nigra (elderberry). 3-Hydroxybenzyl alcohol glucoside is found in fruits.
2-(2,4-Dihydroxyphenyl)-5,6-dimethoxybenzofuran
2-(2,4-Dihydroxyphenyl)-5,6-dimethoxybenzofuran is isolated from trunkwood of Myroxylon balsamum (Tolu balsam). Isolated from trunkwood of Myroxylon balsamum (Tolu balsam).
Melilotocarpan B
Melilotocarpan B is found in herbs and spices. Melilotocarpan B is isolated from Melilotus alba (white melilot
2-Methoxy-9-phenyl-1H-phenalen-1-one
2-Methoxy-9-phenyl-1H-phenalen-1-one is isolated from Musa acuminata (dwarf banana
3,4-Dihydroxy-9-methoxypterocarpan
3,4-Dihydroxy-9-methoxypterocarpan is found in herbs and spices. 3,4-Dihydroxy-9-methoxypterocarpan is isolated from fungus-infected leaves of Melilotus alba (white melilot). Isolated from fungus-infected leaves of Melilotus alba (white melilot). 3,4-Dihydroxy-9-methoxypterocarpan is found in herbs and spices and pulses.
3',7-Dihydroxy-4'-methoxyisoflavanone
3,7-Dihydroxy-4-methoxyisoflavanone is a constituent of Myroxylon balsamum (Tolu balsam)
Asperxanthone
Asperxanthone is found in fruits. Asperxanthone is a constituent of Aspergillus niger, Aspergillus awamori and Aspergillus fonsecaeus. It is isolated from A. niger infected mango fruits and peanuts
Heliannone C
Heliannone C is found in fats and oils. Heliannone C is a constituent of Helianthus annuus (sunflower)
3-(4-methoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Isosalicin
Isosalicin is found in alcoholic beverages. Isosalicin is isolated from flowers of Filipendula ulmaria (meadowsweet). Isolated from flowers of Filipendula ulmaria (meadowsweet). Isosalicin is found in tea and alcoholic beverages.
Histidylmethionine
Histidylmethionine is a dipeptide composed of histidine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Methionyl-Histidine
Methionyl-Histidine is a dipeptide composed of methionine and histidine. 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.
4-Hydroxy tolbutamide
4-Hydroxy tolbutamide is a hydroxylation byproduct of tolbutamide. Tolbutamide is a first generation potassium channel blocker. It is a sulfonylurea oral hypoglycemic drug sold under the brand name Orinase. This drug may be used in the management of type II diabetes if diet alone is not effective. Tolbutamide stimulates the secretion of insulin by the pancreas. [HMDB] 4-Hydroxy tolbutamide is a hydroxylation byproduct of tolbutamide. Tolbutamide is a first generation potassium channel blocker. It is a sulfonylurea oral hypoglycemic drug sold under the brand name Orinase. This drug may be used in the management of type II diabetes if diet alone is not effective. Tolbutamide stimulates the secretion of insulin by the pancreas.
6alpha-Hydroxyisomedicarpin
6alpha-Hydroxyisomedicarpin is found in fruits. 6alpha-Hydroxyisomedicarpin is isolated from fungus-infected leaves of Melilotus alba (white melilot). Isolated from fungus-infected leaves of Melilotus alba (white melilot). 6alpha-Hydroxyisomedicarpin is found in pulses and fruits.
3',4'-Dihydrodiol
3,4-Dihydrodiol is a metabolite of Phenytoin. 3,4-dihydrodiol belongs to the family of Ureides. These are compounds containing an ureide group with the general structure R-CO-NH-CO-N(R)R, formally derived by the acylation of urea.
3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside
3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside is found in herbs and spices. 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside is isolated from aerial parts of Artemisia dracunculus (tarragon). Isolated from aerial parts of Artemisia dracunculus (tarragon). 3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside is found in herbs and spices.
Phenytoin dihydrodiol
Phenytoin dihydrodiol is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)
N'-[(E)-[5-(Hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methyl]pyridine-4-carbohydrazide
(6As,11bS)-7,11b-dihydro-6H-indeno[2,1-c]chromene-3,6a,9,10-tetrol
Brazilin is a red dye precursor obtained from the heartwood of several species of tropical hardwoods. Brazilin inhibits the cells proliferation, promotes apoptosis, and induces autophagy through the AMPK/mTOR pathway. Brazilin shows chondroprotective and anti-inflammatory activities[1][2][3]. Brazilin is a red dye precursor obtained from the heartwood of several species of tropical hardwoods. Brazilin inhibits the cells proliferation, promotes apoptosis, and induces autophagy through the AMPK/mTOR pathway. Brazilin shows chondroprotective and anti-inflammatory activities[1][2][3].
Isosakuranetin
5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one is a member of the class of compounds known as 4-o-methylated flavonoids. 4-o-methylated flavonoids are flavonoids with methoxy groups attached to the C4 atom of the flavonoid backbone. 5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one can be found in sweet orange, which makes 5,7-dihydroxy-2-(4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-4-one a potential biomarker for the consumption of this food product. Isosakuranetin is a flavanone flavonoid which can be found in the fruit of Citrus bergamia. Isosakuranetin is a flavanone flavonoid which can be found in the fruit of Citrus bergamia.
1-(1-Methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea
3-Butyl-1-hydroxy-1-(4-methylphenyl)sulfonylurea
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-4-methylsulfanylbutanoate
4-(Nitrosomethylidene)-1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridine
N'-[(5-Formyl-3-hydroxy-2-methylpyridin-4-yl)methyl]pyridine-4-carbohydrazide
3,3'-Dihydroxy-4,5-dimethoxybibenzyl
3,3-dihydroxy-4,5-dimethoxybibenzyl is a member of the class of compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. 3,3-dihydroxy-4,5-dimethoxybibenzyl is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,3-dihydroxy-4,5-dimethoxybibenzyl can be found in black crowberry, which makes 3,3-dihydroxy-4,5-dimethoxybibenzyl a potential biomarker for the consumption of this food product.
Heraclenin
Heraclenin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Heraclenin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Heraclenin can be found in carrot, lemon, and wild carrot, which makes heraclenin a potential biomarker for the consumption of these food products.
Methylarbutin
Methylarbutin is a member of the class of compounds known as phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. Methylarbutin is soluble (in water) and a very weakly acidic compound (based on its pKa). Methylarbutin can be found in sweet marjoram, which makes methylarbutin a potential biomarker for the consumption of this food product.
Sakakin
Orcinol glucoside is a glycoside. Orcinol glucoside is a natural product found in Helichrysum arenarium, Curculigo orchioides, and Molineria capitulata with data available. Orcinol glucoside (OG) is an active constituent isolated from Curculigo orchioides, with antidepressant effects. Orcinol glucoside facilitates the shift of MSC fate to osteoblast and prevents adipogenesis via Wnt/β-catenin signaling pathway[1][2]. Orcinol glucoside (OG) is an active constituent isolated from Curculigo orchioides, with antidepressant effects. Orcinol glucoside facilitates the shift of MSC fate to osteoblast and prevents adipogenesis via Wnt/β-catenin signaling pathway[1][2].
Homoarbutin
Homoarbutin is a natural product found in Pyrola rotundifolia, Pyrola japonica, and Pyrola elliptica with data available.
Prengenine
Heraclenin is a natural product found in Philotheca spicata, Prangos lophoptera, and other organisms with data available. Heraclenin, a natural furanocoumarin, significantly inhibits T cell receptor-mediated proliferation in human primary T cells in a concentration-dependent manner by targeting nuclear factor of activated T-cells (NFAT)[1]. Heraclenin, a natural furanocoumarin, significantly inhibits T cell receptor-mediated proliferation in human primary T cells in a concentration-dependent manner by targeting nuclear factor of activated T-cells (NFAT)[1].
Prangenin
Oxyimperatorin is a natural product found in Ferula sumbul, Angelica dahurica, and Ferula moschata with data available. Oxyimperatorin ((±)-Heraclenin) is a coumarin isolated from Angelica dahurica. Oxyimperatorin ((±)-Heraclenin) is a coumarin isolated from Angelica dahurica.
Claussequinone
[Raw Data] CB117_Claussequinone_pos_50eV_CB000042.txt [Raw Data] CB117_Claussequinone_pos_40eV_CB000042.txt [Raw Data] CB117_Claussequinone_pos_30eV_CB000042.txt [Raw Data] CB117_Claussequinone_pos_20eV_CB000042.txt [Raw Data] CB117_Claussequinone_pos_10eV_CB000042.txt
Orcinol glucoside
Orcinol glucoside (OG) is an active constituent isolated from Curculigo orchioides, with antidepressant effects. Orcinol glucoside facilitates the shift of MSC fate to osteoblast and prevents adipogenesis via Wnt/β-catenin signaling pathway[1][2]. Orcinol glucoside (OG) is an active constituent isolated from Curculigo orchioides, with antidepressant effects. Orcinol glucoside facilitates the shift of MSC fate to osteoblast and prevents adipogenesis via Wnt/β-catenin signaling pathway[1][2].
Poriol
Poriol is a member of flavanones. Poriol is a natural product found in Pinus morrisonicola with data available. Poriol is a flavonoid isolated from Pseudotsuga sinensis[1]. Poriol is a flavonoid isolated from Pseudotsuga sinensis[1].
Isogosferol
Isogosferol is a natural product found in Prangos lophoptera, Prangos tschimganica, and other organisms with data available.
Pinobanksin 5-methyl ether
Oxyimperatorin
Oxyimperatorin ((±)-Heraclenin) is a coumarin isolated from Angelica dahurica. Oxyimperatorin ((±)-Heraclenin) is a coumarin isolated from Angelica dahurica.
Lichexanthone
A member of the class of xanthones that is 9H-xanthen-9-one substituted by a hydroxy group at position 1, a methyl group at position 8 and methoxy groups at positions 3 and 6. It has been isolated from the bark of Cupania cinerea.
Sappanchalcone
Sappanchalcone is a member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4 and a methoxy group at position 2. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity. It has a role as a metabolite, an antioxidant, an anti-inflammatory agent and an anti-allergic agent. It is a member of chalcones, a member of catechols and a monomethoxybenzene. It is functionally related to a trans-chalcone. Sappanchalcone is a natural product found in Biancaea decapetala and Biancaea sappan with data available. A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy groups at positions 3, 4 and 4 and a methoxy group at position 2. Isolated from Caesalpinia sappan, it exhibits neuroprotective and cytoprotective activity.
Helichrysetin
Helichrysetin, isolated from the flowers of Helichrysum odoratissimum, is an ID2 (inhibitor of DNA binding 2) inhibitor, and suppresses DCIS (ductal carcinoma in situ) formation. Helichrysetin possess strong inhibitory effects on cell growth and is capable of inducing apoptosis in A549 cells[1][2]. Helichrysetin, isolated from the flowers of Helichrysum odoratissimum, is an ID2 (inhibitor of DNA binding 2) inhibitor, and suppresses DCIS (ductal carcinoma in situ) formation. Helichrysetin possess strong inhibitory effects on cell growth and is capable of inducing apoptosis in A549 cells[1][2].
Isosakuranetin
4-methoxy-5,7-dihydroxyflavanone is a dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4 (the 2S stereoisomer). It has a role as a plant metabolite. It is a dihydroxyflavanone, a monomethoxyflavanone, a member of 4-methoxyflavanones and a (2S)-flavan-4-one. It is functionally related to a (S)-naringenin. Isosakuranetin is a natural product found in Ageratina altissima, Chromolaena odorata, and other organisms with data available. A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4 (the 2S stereoisomer). Isosakuranetin is a flavanone flavonoid which can be found in the fruit of Citrus bergamia. Isosakuranetin is a flavanone flavonoid which can be found in the fruit of Citrus bergamia.
Homobutein
Homobutein is a member of chalcones. Homobutein is a natural product found in Erythrina abyssinica and Amburana cearensis with data available.
6a-Hydroxymedicarpin
Isolated from fungus-infected leaves of Melilotus alba (white melilot). 6alpha-Hydroxymedicarpin is found in pulses and fruits.
Sakuranetin
Annotation level-1 Sakuranetin is a cherry flavonoid phytoalexin, shows strong antifungal activity[1]. Sakuranetin has anti-inflammatory and antioxidative activities. Sakuranetin ameliorates LPS-induced acute lung injury[2]. Sakuranetin is a cherry flavonoid phytoalexin, shows strong antifungal activity[1]. Sakuranetin has anti-inflammatory and antioxidative activities. Sakuranetin ameliorates LPS-induced acute lung injury[2].
4-(2-Furyl)-6-(methylthio)-2-tetrahydro-1H-pyrrol-1-ylpyrimidine-5-carbonitrile
3-(2,1,3-Benzothiadiazol-4-ylamino)-2-(2,2-dimethylpropanoyl)acrylonitrile
3,9,10-tri-O-methylfasciculiferol|3,9,10-trimethoxy-6H-dibenzopyran-6-one|3,9,10-trimethoxydibenzopyran-6-one
5-((3,3-dimethyloxiran-2-yl)methoxy)-7H-furo[3,2-g]chromen-7-one
7,8-dihydro-5-hydroxy-12,13-methylenedioxy-11-methoxyldibenz[b,f]oxepin
2-(4-hydroxy-2,3-dimethoxyphenyl)-6-hydroxybenzofuran (isopterofuran)
1-Hydroxy-3-methyl-6-methoxy-8-(hydroxymethyl)-9H-xanthene-9-one
(2S,3R)-2,3-dihydro-3-(hydroxymethyl)-2-(4-hydroxyphenyl)benzofuran-5-carboxylic acid|(7S,8R)-4,9-dihydroxy-4,7-epoxy-8,9-dinor-8,5-neolignan-7-oic acid
1-Hydroxy-3-methoxy-6-methyl-8-(hydroxymethyl)-9H-xanthene-9-one
(1R,2S,2E,5R,6R)-2-(1-bromoethyl)-2,5-dimethyl-6-(penta-2,4-dienyl)-tetrahydropyran
2,3-Dihydro-2-isopropenyl-5-hydroxy-7-methoxynaphtho[2,3-b]furan-4,9-dione
BAUHINOXEPIN I
A dibenzooxepine that is 10,11-dihydrodibenzo[b,f]oxepine-1,4-dione substituted by a hydroxy, a methoxy and a methyl group at positions 8, 2 and 3 respectively. It is isolated from the root extract of Bauhinia purpurea and exhibits antimalarial, antimycobacterial, antifungal, anti-inflammatory and cytotoxic activities.
4-Cyclopentene-1,3-dione, 4,5-dimethoxy-2-[(2E)-1-oxo-3-phenyl-2-propenyl]- (9CI); 4,5-Dimethoxy-2-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-4-cyclopentene-1,3-dione
7-Me ether-3,7-Dihydroxy-1,9-dimethyl-2-dibenzofurancarboxylic acid|7-O-methylnorascomatic acid
2,4-dimethyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
4-hydroxy-2-methoxyphenyl 6-deoxy-alpha-L-talopyranoside
5,7-dihydroxy-2-(2-hydroxyphenyl)-8-methyl-chroman-4-one
4-Methoxy-2,7-dihydroxy-9-methyl-6,11-dihydrodibenzo[b,e]oxepin-6-one
8-[(3-methyl-2-oxo-3-buten-1-yl)oxy]-7H-furo[3,2-g]benzopyran-2-one
Rubrofusarin B
A benzochromenone that is rubrofusarin in which the hydroxy group at position 6 has been converted to the corresponding methyl ether.
(Z)-7,11-dihydroxy-3-methoxy-10,11-dihydrodibenzo[b,f]oxepine-10-carbaldehyde|longicornuol B
7-Methoxy-5-hydroxy-4-(4-hydroxyphenyl)chroman-2-one
rel-(2?R,3?R,4?R)-2,3,4-trihydroxypentyl orsellinate|rel-(2R,3R,4R)-2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
1-methanol-5-[4-(2-propen-1-yl)phenoxy]-2,3,4-benzenetriol|2-hydroxyobovaaldehyde
3,4,5-trihydroxypentan-2-yl 2,4-dihydroxy-6-methylbenzoate
7,8-dihydro-4-hydroxy-12,13-methylenedioxy-11-methoxyldibenz[b,f]oxepin
(r)-form-3-(3,4-Dihydroxybenzyl)-5-hydroxy-4-chromanone
4,8-dimethoxy-b-carboline-1-carboxylic acid methyl ester
(+/-)-scorzophthalide|(3RS)-3-[(SR)-hydroxy(4-hydroxyphenyl)methyl]-7-methoxy-2-benzofuran-1(3H)-one
Deoxysappanone B
3-deoxysappanone B is a homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by a hydroxy group at position 7 and a (3,4-dihydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoiosmer). it has been isolated from Caesalpinia sappan. It has a role as a plant metabolite. It is a homoisoflavonoid and a polyphenol. (3R)-3-[(3,4-dihydroxyphenyl)methyl]-7-hydroxy-2,3-dihydro-4H-1-benzopyran-4-one is a natural product found in Biancaea sappan with data available. A homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by a hydroxy group at position 7 and a (3,4-dihydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoiosmer). it has been isolated from Caesalpinia sappan.
Pangelin
Pangelin is a natural product found in Angelica japonica, Angelica pachycarpa, and other organisms with data available. Pangelin is a coumarin that can be found in Ducrosia anethifolia. Pangelin exhibits anti-mycobacterial and anti-tumor activities[1][2].
(R)-(4-Hydroxy)-5,7-dihydroxy-4-chromanone
(3R)-5,7-dihydroxy-3-[(4-hydroxyphenyl)methyl]-2,3-dihydrochromen-4-one is a natural product found in Soymida febrifuga, Eucomis montana, and other organisms with data available.
Isooxypeucedanin
Isooxypeucedanin is a natural product found in Prangos latiloba, Skimmia laureola, and other organisms with data available.
ETHOFUMESATE
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals CONFIDENCE standard compound; EAWAG_UCHEM_ID 117
Salicin
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors relative retention time with respect to 9-anthracene Carboxylic Acid is 0.253 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.247 Salicin is a natural COX inhibitor. Salicin is a natural COX inhibitor.
5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
(2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one
(2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
(E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
Licochalcone B
Licochalcone B is an extract from the root of Glycyrrhiza uralensis. Licochalcone B inhibits amyloid β (42) self-aggregation (IC50=2.16 μM) and disaggregate pre-formed Aβ42 fibrils, reduce metal-induced Aβ42 aggregation through chelating metal ionsLicochalcone B inhibits phosphorylation of NF-κB p65 in LPS signaling pathway. Licochalcone B inhibits growth and induces apoptosis of NSCLC cells. Licochalcone B specifically inhibits the NLRP3 inflammasome by disrupting NEK7‐NLRP3 interaction[1][2][3][4]. Licochalcone B is an extract from the root of Glycyrrhiza uralensis. Licochalcone B inhibits amyloid β (42) self-aggregation (IC50=2.16 μM) and disaggregate pre-formed Aβ42 fibrils, reduce metal-induced Aβ42 aggregation through chelating metal ionsLicochalcone B inhibits phosphorylation of NF-κB p65 in LPS signaling pathway. Licochalcone B inhibits growth and induces apoptosis of NSCLC cells. Licochalcone B specifically inhibits the NLRP3 inflammasome by disrupting NEK7‐NLRP3 interaction[1][2][3][4].
C16H14O5_6H-Benzofuro[3,2-c][1]benzopyran-4,9-diol, 6a,11a-dihydro-3-methoxy-, (6aR,11aR)
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol
(2R,3R)-3,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydrochromen-4-one
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydro-4h-chromen-4-one
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
5,7-dihydroxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
Heraclenin
Origin: Plant, Coumarins Heraclenin, a natural furanocoumarin, significantly inhibits T cell receptor-mediated proliferation in human primary T cells in a concentration-dependent manner by targeting nuclear factor of activated T-cells (NFAT)[1]. Heraclenin, a natural furanocoumarin, significantly inhibits T cell receptor-mediated proliferation in human primary T cells in a concentration-dependent manner by targeting nuclear factor of activated T-cells (NFAT)[1].
9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847019]
9-[(Z)-4-hydroxy-3-methylbut-2-enoxy]furo[3,2-g]chromen-7-one [IIN-based: Match]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-hydroxy-5-methylphenoxy)oxane-3,4,5-triol_major
Hydroxymelphalan
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
His-met
A dipeptide formed from L-histidine and L-methionine residues.
Met-his
A dipeptide formed from L-methionine and L-histidine residues.
(R)-Pabulenol
Pangelin is a coumarin that can be found in Ducrosia anethifolia. Pangelin exhibits anti-mycobacterial and anti-tumor activities[1][2].
4-Demethyl-3,9-dihydroeucomin
3-Hydroxy-4,6-heptadiyne-1-yl 1-glucoside
Pisonivanone
A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 2 and a methyl group at position 8. Isolated from Pisonia aculeata, it exhibits antitubercular activity.
N-[(1R)-2-[3-(AMINOSULFONYL)-4-METHOXYPHENYL]-1-METHYLETHYL]ACETAMIDE
6-(4-Methoxybenzylcarbamoyl)pyridine-3-boronic acid
Ethyl 2-((tert-butoxycarbonylamino)methyl)thiazole-4-carboxylate
Methanimidamide,N-(2-benzoyl-4-chlorophenyl)-N,N-dimethyl-
((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)methyl p-toluenesulfonate
Ethyl5-amino-4-cyano-1-(4-methoxyphenyl)pyrazole-3-carboxylate
Ethyl5-amino-4-cyano-1-(3-methoxyphenyl)pyrazole-3-carboxylate
l-pyroglutamic acid 4-methyl-7-coumarinylamide hydrate
1-(2-NAPHTHYLMETHYL)-1H-BENZIMIDAZOLE-2-CARBALDEHYDE
(3R,4S,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfanyloxane-3,4,5-triol
SB 204741
SB 204741 is a selective and high affinity 5-HT2B antagonist with a pKi value of 7.1[1].
ethyl 2-(tert-butoxycarbonylamino)-4-methylthiazole-5-carboxylate
Guacetisal
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BA - Salicylic acid and derivatives D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D019141 - Respiratory System Agents > D005100 - Expectorants D018501 - Antirheumatic Agents
[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
4-AMINO-1-(4-METHOXYBENZYL)-1H-IMIDAZO[4,5-C]PYRIDINE-2(3H)-THIONE
Benzyl 3-(hydroxymethyl)piperazine-1-carboxylate hydrochloride
2-chlorobuta-1,3-diene,2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
(1-(tert-Butoxycarbonyl)-6-cyano-1H-indol-2-yl)boronic acid
4-oxo-3-(pyridin-2-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid(SALTDATA: FREE)
Ethyl 4-hydroxy-7-methyl-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydro-1,8-naphthyridine-3-carboxylate
4-({[(3-Pyridinylmethoxy)Carbonyl]Amino}Methyl)Benzoic Acid
2,2-dimethyl-1,3-dioxolan-4-ylmethyl p-toluenesulfonate
(2S,4R)-2-hydroxyMethyl-4-CBZ-amino Pyrrolidine-HCl
2-(CHLOROMETHYL)-2-METHYL-3-PHENYL-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
N-[(2-hydroxyphenyl)-(3-nitrophenyl)methyl]acetamide
N-[(2-hydroxyphenyl)-(4-nitrophenyl)methyl]acetamide
5-(isopropylsulfonyl)-2-morpholinopyrimidin-4-amine
2-Propen-1-one,3-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-
5-(1-azepanylsulfonyl)-1-methyl-1H-pyrrole-2-carboxylic acid
(2R,4S)-1-CBZ-2-HYDROXYMETHYL-4-AMINOPYRROLIDINE HYDROCHLORIDE
4-AMINO-N-PHENYLPIPERIDINE-1-CARBOXAMIDE HYDROCHLORIDE
(2R,4R)-1-Cbz-2-Hydroxymethyl-4-aminopyrrolidine hydrochloride
(4-((tert-Butyldimethylsilyl)oxy)-2-chlorophenyl)boronic acid
Pyridoxal isonicotinoyl hydrazone
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
2-(3-Methylphenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
Acrylophenone, 2,4-dihydroxy-3-(m-hydroxy-p-methoxyphenyl)-
3-(3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoic acid
Benzamide, N-[[(4,6-dimethyl-2-pyrimidinyl)amino]thioxomethyl]-
3-Deoxysappanone B
A homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by hydroxy groups at positions 3 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoisomer). It has been isolated from Caesalpinia sappan.
4-hydroxy-2,3-dimethoxy-5-[(E)-3-phenylprop-2-enoyl]cyclopenta-2,4-dien-1-one
(2R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(2-methoxyphenoxy)oxane-3,4,5-triol
4-Amino-1-(4-amino-2-oxo-1(2h)-pyrimidinyl)-1,4-dideoxy-beta-d-glucopyranuronic acid
(Z)-3-hydroxy-1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl] (2S)-2-amino-4-methylsulfanylbutanoate
Oxypeucedanin
A furanocoumarin that is 7H-furo[3,2-g][1]benzopyran-7-one substituted by a [(2S)-3,3-dimethyloxiran-2-yl]methoxy group at position 4. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Phyllodulcin
D000074385 - Food Ingredients > D005503 - Food Additives D010592 - Pharmaceutic Aids > D005421 - Flavoring Agents
3-Hydroxy-2-(2-hydroxy-3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
3-[[(3-Methoxyanilino)-oxomethyl]amino]benzoic acid
N-(5-benzyl-1,3-thiazol-2-yl)-4,5-dihydro-1H-imidazole-2-carboxamide
7-(methoxymethyl)-3-(2-methoxyphenyl)-1H-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
4-(3,4-dimethylphenyl)-3-(5-methyl-3-isoxazolyl)-1H-1,2,4-triazole-5-thione
1-[4-Cyano-2-(2-furanyl)-5-oxazolyl]-4-piperidinecarboxamide
2-(3,4-dimethylphenoxy)ethanethioic acid S-(4-methylphenyl) ester
2-Amino-6-ethyl-3-(3-isoxazolyl)-7-methoxy-1-benzopyran-4-one
2-(2,5-Dimethoxyphenyl)-5-(5-methyl-2-furanyl)-1,3,4-oxadiazole
2-(2,5-Dimethoxyphenyl)-4-methyl-1,6-dihydroimidazo[4,5-d]pyridazin-7-one
2-Amino-3-[(2-fluorophenyl)hydrazinylidene]-5-methyl-7-pyrazolo[1,5-a]pyrimidinone
1-[3-[(1-Chloro-2-naphthalenyl)oxy]propyl]imidazole
(6aR,11aR)-8-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
{[1-(4-Methoxyphenyl)-4-methylpent-1-en-3-yl]oxy}sulfonic acid
(1R,7S,10S,11R,12R,13S,14R)-3-amino-11-(hydroxymethyl)-6,9-dioxa-2-aza-4-azoniapentacyclo[8.3.1.01,7.05,13.08,12]tetradec-3-ene-8,11,14-triol
2,4,6-Trihydroxy-3-formyldihydrochalcone
A member of the class of dihydrochalcones that is dihydrochalcone with hydroxy substituents at positions 2 ,4 , and 6 and a formyl substituent at position 3.
4 hydroxy tolbutamide
A urea that consists of 1-butylurea having a 4-hydroxymethylbenzenesulfonyl group attached at the 3-position.
Flavasperone
A naphtho-gamma-pyrone that is 4H-naphtho[1,2-b]pyran-4-one carrying a methyl substituent at position2, a hydroxy substituent at position 5 and two methoxy substotuents at positions 8 and 10. Originally isolated from Aspergillus niger.
brasilin
Brazilin is a red dye precursor obtained from the heartwood of several species of tropical hardwoods. Brazilin inhibits the cells proliferation, promotes apoptosis, and induces autophagy through the AMPK/mTOR pathway. Brazilin shows chondroprotective and anti-inflammatory activities[1][2][3]. Brazilin is a red dye precursor obtained from the heartwood of several species of tropical hardwoods. Brazilin inhibits the cells proliferation, promotes apoptosis, and induces autophagy through the AMPK/mTOR pathway. Brazilin shows chondroprotective and anti-inflammatory activities[1][2][3].
3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-benzopyran-1-one
2,7-Dihydroxy-4-methoxyisoflavanone
A hydroxyisoflavanone isoflavanone bearing hydroxy groups at the 2 and 7 positions, and a methoxy group at the 4 position.
beta-isosalicin
A beta-D-glucoside that is beta-D-glucopyranose in which the hydroxy group at position 1R is substituted by a (2-hydroxybenzyl)oxy group. It is isolated from the flowers of Filipendula ulmaria.
2,3-dihydrobiochanin A
A hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A.
(3s)-5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
2-(3-hydroxy-5-methoxyphenyl)-4-methoxy-1-benzofuran-5-ol
5-hydroxy-4-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-1-benzopyran-2-one
(1s,10s)-14-methoxy-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11,13,15-hexaene-5,15-diol
(2s)-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-5,8-dione
(2s)-5,8-dihydroxy-7-methoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 2,4-dimethylfuran-3-carboxylate
2,3,4-trihydroxypentyl 2,4-dihydroxy-6-methylbenzoate
(2s,3r,4r,5s,6r)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
2-(1-bromoethyl)-2,5-dimethyl-6-[(2e)-penta-2,4-dien-1-yl]oxane
2-methoxyphenylβ-d-glucopyranoside
{"Ingredient_id": "HBIN005925","Ingredient_name": "2-methoxyphenyl\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H18O7","Ingredient_Smile": "COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14052","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-hydroxybenzyl-1-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN008697","Ingredient_name": "3-hydroxybenzyl-1-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H18O7","Ingredient_Smile": "C1=CC(=CC(=C1)O)COC2C(C(C(C(O2)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9839","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,6-heptadiyne-1,3-diol; 1-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN010083","Ingredient_name": "4,6-heptadiyne-1,3-diol; 1-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H18O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7900","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxybenzyl-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN010520","Ingredient_name": "4-hydroxybenzyl-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C13H18O7","Ingredient_Smile": "C1=CC(=CC=C1COC2C(C(C(C(O2)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9840","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
