Exact Mass: 316.12117159999997
Exact Mass Matches: 316.12117159999997
Found 500 metabolites which its exact mass value is equals to given mass value 316.12117159999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Byakangelicol
Byakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Byakangelicol is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Byakangelicol can be found in lemon, which makes byakangelicol a potential biomarker for the consumption of this food product. Byakangelicol is a member of psoralens. Byakangelicol is a natural product found in Murraya koenigii, Ostericum grosseserratum, and other organisms with data available. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1]. Byakangelicol, isolated from Angelica dahurica, inhibits interleukin-1beta (IL-1beta) -induced prostaglandin E2 (PGE2) release in A549 cells mediated by suppression of cyclooxygenase-2 (COX-2) expression and the activity of COX-2 enzyme. Byakangelicol has therapeutic potential as an anti-inflammatory agent on airway inflammation[1].
Combretastatin_A-4
Combretastatin A4 is a stilbenoid. Combretastatin A4 is a natural product found in Combretum caffrum with data available. Combretastatin A-4 is an inhibitor of microtubule polymerization derived from the South African willow bush which causes mitotic arrest and selectively targets and reduces or destroys existing blood vessels, causing decreased tumor blood supply. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D000970 - Antineoplastic Agents Combretastatin A4 is a microtubule-targeting agent that binds β-tubulin with Kd of 0.4 μM.
Neobyakangelicol
Neobyakangelicol is a member of the class of compounds known as 5-methoxypsoralens. 5-methoxypsoralens are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Neobyakangelicol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Neobyakangelicol can be found in lemon, which makes neobyakangelicol a potential biomarker for the consumption of this food product. Neobyakangelicol is a member of psoralens. Neobyakangelicol is a natural product found in Murraya koenigii, Angelica japonica, and other organisms with data available.
Isobyakangelicol
Isobyakangelicol is a member of psoralens. Isobyakangelicol is a natural product found in Murraya koenigii and Angelica dahurica var. formosana with data available.
Sorgolactone
Sorgolactone is found in cereals and cereal products. Sorgolactone is isolated from the roots of Sorghum bicolor (sorghum) (genuine host plant for Striga species) Strigolactones are plant hormones that have been implicated in inhibition of shoot branching. Strigolactones are carotenoid-derived and trigger germination of parasitic plant seeds (for example striga from which they gained their name) and stimulate symbiotic mycorrhizal fungi. Strigolactones contain a labile ether bond that is easily hydrolysed in the rhizosphere meaning that there is a large concentration gradient between areas near the root and those further away. Isolated from the roots of Sorghum bicolor (sorghum) (genuine host plant for Striga subspecies)
O-Methylodoratol
A member of the class of dihydrochalcones that is the 2-O-methyl derivative of odoratol.
Cajanol
Isolated from fungus-infected stems of Cajanus cajan (pigeon pea). Cajanol is found in pigeon pea and pulses. Cajanol is found in pigeon pea. Cajanol is isolated from fungus-infected stems of Cajanus cajan (pigeon pea
Homoferreirin
Homoferreirin is found in chickpea. Homoferreirin is isolated from Cicer arietinum (chickpea Isolated from Cicer arietinum (chickpea). Homoferreirin is found in chickpea and pulses.
4,6-Dihydroxy-5,7-dimethoxyflavanone
N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine
3',5-Dihydroxy-4',7-dimethoxyflavanone
3,5-Dihydroxy-4,7-dimethoxyflavanone is an ether and a member of flavonoids. Persicogenin is a natural product found in Chromolaena odorata, Vitex trifolia, and other organisms with data available. 3,5-Dihydroxy-4,7-dimethoxyflavanone is found in peach. 3,5-Dihydroxy-4,7-dimethoxyflavanone is isolated from Persica vulgaris (peach). Isolated from Persica vulgaris (peach). Persicogenin is found in peach. Persicogenin, isolated from Rhus retinorrhoea, possesses anti-cancer activity[1]. Persicogenin, isolated from Rhus retinorrhoea, possesses anti-cancer activity[1].
Verimol A
Verimol A is found in fruits. Verimol A is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol A is found in fruits.
Melilotocarpan E
Melilotocarpan E is found in herbs and spices. Melilotocarpan E is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan E is found in herbs and spices and pulses.
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is found in herbs and spices. 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is from Muscari comosum (tassel hyacinth). From Muscari comosum (tassel hyacinth). 5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)-4-chromanone is found in herbs and spices.
Hydroxytyrosol 1-O-glucoside
Hydroxytyrosol 1-O-glucoside is found in fruits. Hydroxytyrosol 1-O-glucoside is a constituent of Prunus sp. Constituent of Prunus species Hydroxytyrosol 1-O-glucoside is found in fruits.
Olivin
Olivin is found in olive. Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Claimed to be isolated from olive leaves Olea europaea, along with a glucoside, but this could not be substantiated. Olivin is found in olive.
Vanilloloside
Vanilloloside is found in herbs and spices. Vanilloloside is isolated from unripe vanilla pod. Isolated from unripe vanilla pods. Vanilloloside is found in herbs and spices.
Verimol B
Verimol B is found in fruits. Verimol B is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol B is found in fruits.
7-Hydroxy-2',3',4'-trimethoxyisoflavan
7-Hydroxy-2,3,4-trimethoxyisoflavan is found in alfalfa. 7-Hydroxy-2,3,4-trimethoxyisoflavan is a constituent of Medicago sativa (alfalfa). Constituent of Medicago sativa (alfalfa). 7-Hydroxy-2,3,4-trimethoxyisoflavan is found in alfalfa and pulses.
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone
5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is found in herbs and spices. 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is isolated from Muscari comosum (tassel hyacinth). Isolated from Muscari comosum (tassel hyacinth). 5,8-Dihydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-chromanone is found in herbs and spices.
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone
3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices. 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is a constituent of Muscari species. Constituent of Muscari subspecies 3-(3,4-Dihydroxybenzyl)-7-hydroxy-5-methoxy-4-chromanone is found in herbs and spices.
Artocarpanone A
Artocarpanone A is found in fruits. Artocarpanone A is a constituent of the roots of Artocarpus heterophyllus (jackfruit). Constituent of the roots of Artocarpus heterophyllus (jackfruit). Artocarpanone A is found in fruits.
7-Hydroxy-2',4',5'-trimethoxyisoflavan
7-Hydroxy-2,4,5-trimethoxyisoflavan is found in alfalfa. 7-Hydroxy-2,4,5-trimethoxyisoflavan is isolated from the leaves of Medicago sativa (alfalfa). Isolated from the leaves of Medicago sativa (alfalfa). 7-Hydroxy-2,4,5-trimethoxyisoflavan is found in alfalfa and pulses.
5,7-dihydroxy-6-methoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Melilotocarpan D
Melilotocarpan D is found in herbs and spices. Melilotocarpan D is from Melilotus alba (white melilot). From Melilotus alba (white melilot). Melilotocarpan D is found in herbs and spices and pulses.
4',7-Dihydroxy-2',5-dimethoxyisoflavanone
4,7-Dihydroxy-2,5-dimethoxyisoflavanone is found in pulses. 4,7-Dihydroxy-2,5-dimethoxyisoflavanone is isolated from Phaseolus coccineus (scarlet runner bean). Isolated from Phaseolus coccineus (scarlet runner bean). 4,7-Dihydroxy-2,5-dimethoxyisoflavanone is found in pulses and scarlet bean.
5'-Hydroxy-3',4',7-trimethoxyflavan
5-Hydroxy-3,4,7-trimethoxyflavan is found in fruits. 5-Hydroxy-3,4,7-trimethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 5-Hydroxy-3,4,7-trimethoxyflavan is found in fruits.
Violanone
Violanone is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
8-Hydroxydesmethylclomipramine
8-Hydroxydesmethylclomipramine is a metabolite of clomipramine. Clomipramine (trademarked as Anafranil) is a tricyclic antidepressant (TCA). It was developed in the 1960s by the Swiss drug manufacturer Geigy (now known as Novartis) and has been in clinical use worldwide ever since. (Wikipedia)
N,N'-Bis(salicylidene)-1,2-phenylenediamine
C20H16N2O2 (316.12117159999997)
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea
C17H17FN2O3 (316.12231440000005)
Isocombretastatin A4
D000970 - Antineoplastic Agents
Cornoside
Cornoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Cornoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Cornoside can be found in olive, which makes cornoside a potential biomarker for the consumption of this food product.
Hydroxytyrosol 4'-O-glucoside
Hydroxytyrosol 4-o-glucoside 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. Hydroxytyrosol 4-o-glucoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Hydroxytyrosol 4-o-glucoside can be found in olive, which makes hydroxytyrosol 4-o-glucoside a potential biomarker for the consumption of this food product.
1?2?3?7-tetramethoxyxanthone
1,2,3,7-Tetramethoxyxanthone is a natural product found in Polygala tenuifolia and Bupleurum scorzonerifolium with data available.
Loureirin B
Loureirin B is a natural product found in Garcinia dulcis with data available. Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10?μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity. Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10?μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity. Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10?μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity.
Loureirin
Loureirin B is a natural product found in Garcinia dulcis with data available. Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10?μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity. Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10?μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity. Loureirin B, a flavonoid extracted from Dracaena cochinchinensis, is an inhibitor of plasminogen activator inhibitor-1 (PAI-1), with an IC50 of 26.10?μM; Loureirin B also inhibits KATP, the phosphorylation of ERK and JNK, and has anti-diabetic activity.
3,5-Dihydroxyphenethyl alcohol 3-O-beta-glucopyranoside
5,7-Dihydroxy-3-(3-hydroxy-4-methoxybenzyl)chroman-4-one
Pendulone
Pendulone is an isoflavonoid. Pendulone is a natural product found in Astragalus mongholicus, Wisteria brachybotrys, and other organisms with data available.
7-Hydroxy-2,3,4,6-tetramethoxy-9,10-dihydrophenanthrene
Cornoside
Cornoside is a natural product found in Abeliophyllum distichum, Forsythia suspensa, and other organisms with data available.
2-Hydroxy-3,4,6,7-tetramethoxy-9,10-dihydrophenanthrene
7,4-Dihydroxy-8,3-dimethoxyflavanone
A dihydroxyflavanone having the two hydroxy groups located at the C-4 and -7 positions and two additional methoxy substituent at the C-3 and 8-positions.
3-Hydroxy-2,4,6,7-tetramethoxy-9,10-dihydrophenanthrene
2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
2-(2-Hydroxy-3-methoxy-5-methylbenzoyl)-4-hydroxy-6-methoxybenzaldehyde
Xanthocillin X dimethyl ether
C20H16N2O2 (316.12117159999997)
Xanthocillin X permethyl ether is a natural compound isolated from fungal extracts, with Aβ-42 lowering activity[1].
7-Methoxy-8-(2-acetoxy-3-methyl-1-oxobut-2-enyl) coumarin
(2S)-4-Hydroxy-5,7,3-trimethoxyflavan
2,4-dihydroxy-6-methoxy-3,4-methylenedioxydihydrochalcone
4,2,6-Trihydroxy-4-methoxy-3,5-dimethyldihydrochalcone
Cajanol
A hydroxyisoflavanone that is (3S)-isoflavanone substituted by hydroxy groups at positions 5 and 4 and methoxy groups at positions 7 and 2 respectively. It has been isolated from Crotalaria lachnophora.
Violanone
Violanone is an isoflavonoid. Violanone is a natural product found in Dalbergia odorifera with data available.
Homoferreirin
A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and methoxy groups at positions 2 and 4 respectively.
2H-1-Benzopyran-3-ol, 3,4-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-
Nanaomycin A methyl ester
(Z)-5-methoxytrichoclin|5-methoxy-8-(3-hydroxymethyl-but-2-enyloxy)psoralen|Methoxy-8-(3-hydroxymethyl-but-2-enyloxy)-psoralen
meso-(rel-7S,8S,7R,8R)-3,4,3,4-Tetrahydroxy-7,7-epoxylignan
2,3,6,7-Tetramethoxy-9,10-dihydrophenanthrene-4-ol
6-O-Nicotinoyltetrahydrocantleyine|O-nicotinoyl-6-tetrahydrocantleyine
C17H20N2O4 (316.14230000000003)
3-methoxy-6-methyl-5,7,4-trihydroxyflavanone|6-methyl homoeriodictyol
3,6a-Dimethyl-9-(2-methylbutyryl)-9,9a-dihydro-6H-furo[2,3-h]-2-benzopyran-6,8(6aH)-dione
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(3,4-methylenedioxyphenyl)-propane|2,4-Di-Me,3,4-methylene ether-1-(3,4-Dihydroxyphenyl)-3-(2,4,6-trihydroxyphenyl)propane
2-Phenethyl-4-[(E)-(1H-indole-3-yl)methylene]-2-oxazoline-5-one
C20H16N2O2 (316.12117159999997)
(E)-6-[5-(3-furyl)-2-methylpent-2-enyl]-2,3-dimethoxy-1,4-benzoquinone|Arnebifuranone|isoarnebifuranone
4-beta-D-glucosyl-3-hydroxyphenylethanol|hydroxytyrosol 4-beta-D-glucoside
3,6,8-Trimethoxy-5-isopropyl-7-methyl-2H-naphtho[1,8-bc]furan-2-one
(+/-)-2,3,4,5-Tetrahydro-6,7-dimethoxy-2,3,3,9-tetramethylnaphtho<1,2-b>furan-4,5-dione <(+/-)-8-Methoxytrypethelone Methyl Ether>|7-Me ether,8-methoxy-Trypethelone|8-Methoxytrypethelon-methylether
Laurycolactone B
Laurycolactone B is a natural product found in Eurycoma longifolia with data available.
(3R,4S,6S,10R)-10-bromo-3,11,11-trimethyl-7-methylidenespiro[5.5]undecane-3,4-diol
C15H25BrO2 (316.10378099999997)
4-Hydroxy-gammar-snyderol|8-Hydroxy-gamma-snyderol
C15H25BrO2 (316.10378099999997)
6-methyl-2,4-dihydroxyphenyl-4-O-methyl-1-beta-D-glucopyranoside
(+/-)-7-methoxy-8-hydroxyethyl-2,4-dihydroxyflavane
4,4-(Tetrahydrofuran-3,4-diyl)bis(2-methoxyphenol)
4-Hydroxy-beta-snyderol|8-Hydroxy-beta-snyderol
C15H25BrO2 (316.10378099999997)
2,4-dihydroxy-5-methyl-4,6-dimethoxydihydrochalcone
Emerin|Xanthocillin X dimethyl ether
C20H16N2O2 (316.12117159999997)
3-methoxy-1,4-hydroquinone 1-(4-O-methyl-beta-glucopyranoside)|4-hydroxy-3-methoxyphenyl 4-O-methyl-beta-glucopyranoside
1-(2,4-dihydroxy-3,5-dimethylphenyl)-3-(2-hydroxy-4,5-methylenedioxyphenyl)-propane|1-(2,4-dihydroxy-3,5-dimethylphenyl)-3-(2-hydroxy-4,5-methylenedioxyphenyl)-propane|4,5-Methylene ether-1-(2,4-Dihydroxy-3,5-dimethylphenyl)-3-(2,4,5-trihydroxyphenyl)propane
dapdiamide E
A member of the family of dapdiamides consisting of 3-aminoalanylvaline, in which the N-terminus is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
O-??-D-Glucopyranoside-4-Hydroxy-2-isopropylidene-5-methyl-3(2H)-furanone
5,6-Dimethoxy-7-phenyl-phenalenon|5,6-Dimethoxy-7-phenylalenon|Lachnanthocarpondimethylether
4,4-dihydroxy-2-methyl-3-[(4-hydroxyphenyl)ethynyl]biphene|selaginellin L
pterolinus C
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by methoxy groups at positions 5 and 6, a methyl group at position 3 and a 3-hydroxy-4-methoxyphenyl group at position 2. It is isolated from Pterocarpus santalinus.
2,4-Dihydroxy-3,6-dimethylbenzoic acid 3-hydroxy-2,4,5-trimethylphenyl ester
2,3,3-trimethoxy-4,5-methylenedioxybibenzyl|cirrhopetalidin dimethylether|gastrochilinin
2,4-dimethoxyphenol 1-O-beta-D-glucoside|2,4-dimethoxyphenyl-1-beta-D-glucoside
6-Acetyl-3beta-(angeloyloxy)-2,3-dihydro-2-isopropenyl-5-benzofuranol
(2S)-4-hydroxy-6,7,3-trimethoxyflavan|griffinoid A
(10S)-6,11,12-trihydroxy-15,16-dinorpimara-5,8,11,13-tetraene-3,7-dione|11-hydroxygossweilone|6,11,12-trihydroxy-15,16-dinor-ent-pimara-5,8,11,13-tetraene-3,7-dione|dryperrein B
4-hydroxy-3-methoxy benzyl-beta-D-glucoside|vanillyl alcohol-7-O-beta-D-glucopyranoside
3beta-Chloro,Me ester-(5alpha,6alpha,8alpha,9beta,10beta)-5,6-Epoxy-8-hydroxy-11-drimanoic acid
minumicrolin acetonide|threo-murrangatin acetonide
3-hydroxy-5-methoxy-4-methylphenyl-beta-D-glucopyranoside
4,7-Di-Me ether-3-(4-Hydroxybenzyl)-3,4,7-chromantriol
<2-(5-Acetyl-2,3-dihydro-6-hydroxy-2-benzofuranyl)-2-propenyl>angelat|[2-(5-Acetyl-2,3-dihydro-6-hydroxy-2-benzofuranyl)-2-propenyl]angelat
2,7-Anhydro,4,5-O-isopropylidene,1,3-di-Ac-beta-D-Pyranose-altro-2-Heptulose
2,3-dihydro-trans-2-(2-hydroxyisopropenyl) 3-angelyloxy-6-acetylbenzofuran
(2R)-2r-(3,4-Dimethoxy-phenyl)-7-methoxy-chroman-3t-ol|3.4.7-Trimethoxy-2.3-trans-flavan-3-ol|Tri-O-methyl-(-)-fisetinidol|tri-O-methylfisetinidol
3-(3,4-Dihydroxy-phenaethyl)-5,6,7,8-tetrahydro-naphthalin-1,2,4-triol|3-(3,4-dihydroxy-phenethyl)-5,6,7,8-tetrahydro-naphthalene-1,2,4-triol
4_Methoxy-9,10-Dihydro-7-hydroxy-2,4,6-trimethoxyphenanthrene
4-Methoxy-5-(3-methyl-2-butenyl)-6-(4-hydroxyphenyl)pyrogallol
(1R*,5R*,6R*,8S*,9S*)-8-bromo-1,6-epoxy-5-isopropyl-3,3,9-trimethylbicyclo[4.3.0]nonan-9-ol
C15H25BrO2 (316.10378099999997)
3-methoxy-1,4-hydroquinone 4-(4-O-methyl-beta-glucopyranoside)|4-hydroxy-2-methoxyphenyl 4-O-methyl-beta-glucopyranoside
[2-hydroxy-1-(4-methoxyphenyl)propyl] 4-methoxybenzoate
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate
(E)-1-(1,3,6,8-tetramethoxynaphthalen-2-yl)but-2-en-1-one
C14H20O8_2-Hydroxy-4-(2-hydroxyethyl)phenyl beta-D-glucopyranoside
C14H20O8_beta-D-Glucopyranoside, 4-(hydroxymethyl)-2-methoxyphenyl
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based on: CCMSLIB00000846469]
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate [IIN-based: Match]
[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate_major
Gly Gly Pro Ser
Gly Gly Ser Pro
Gly Pro Gly Ser
Gly Pro Ser Gly
Gly Ser Gly Pro
Gly Ser Pro Gly
Pro Gly Gly Ser
Pro Gly Ser Gly
Pro Ser Gly Gly
Ser Gly Gly Pro
Ser Gly Pro Gly
Ser Pro Gly Gly
Combrestatin A4
Combretastatin A4 is a microtubule-targeting agent that binds β-tubulin with Kd of 0.4 μM.
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate
C14H21F5O2 (316.14616259999997)
Vanilloloside
A natural product found in Acer saccharum.
5'-Hydroxy-3',4',7-trimethoxyflavan
1-(1,2-difluoro-2-naphthalen-1-ylethenyl)naphthalene
1,1,2,2-Ethenetetracarboxylicacid, 1,1,2,2-tetraethyl ester
1-CYCLOHEXYL-5-(4-METHYLSULFANYL-PHENYL)-1H-PYRAZOLE-3-CARBOXYLIC ACID
2-O-(2-Methoxyethyl)-5-methyluridine
2'-O-MOE-5-Me-rU is an active compound. 2'-O-MOE-5-Me-rU can be used for oligonucleotide synthesis[1].
methyl (E)-3-methoxy-2-[2-(6-methoxypyrimidin-4-yl)oxyphenyl]prop-2-enoate
(2,5-diamino-4-benzoylphenyl)-phenylmethanone
C20H16N2O2 (316.12117159999997)
1-(4-fluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
C18H17FO4 (316.11108140000005)
(4-Furan-2-yl-[4,5]bipyrimidinyl-2-yl)-pyridin-3-yl-amine
1-BOC-3-(3-TRIFLUOROMETHYL-PHENYLAMINO)-AZETIDINE
C15H19F3N2O2 (316.13985499999995)
1-BOC-3-(4-TRIFLUOROMETHYL-PHENYLAMINO)-AZETIDINE
C15H19F3N2O2 (316.13985499999995)
tert-butyl 4-[5-(chloromethyl)thiazol-2-yl]piperidine-1-carboxyla te
C14H21ClN2O2S (316.10121960000004)
Boc-trans-DL-b-Pro-4-(3-cyanophenyl)-OH
C17H20N2O4 (316.14230000000003)
2-benzofuran-1,3-dione,ethane-1,2-diol,2-(2-hydroxyethoxy)ethanol
2-(3,5-dimethoxyphenyl)propan-2-yl phenyl carbonate
6-amino-2-(2,4-dimethylphenyl)-1H-benz[de]isoquinoline-1,3(2H)-dione
C20H16N2O2 (316.12117159999997)
Ticarbodine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
ETHYL 7-(ALLYLOXY)-4-OXO-8-PROPYL-4H-CHROMENE-2-CARBOXYLATE
Methyl 2-(4’-Acetoxy-2-fluoro-biphenyl-4-yl)-propionate
C18H17FO4 (316.11108140000005)
Boc-L-1,2,3,4-Tetrahydronorharman-3-carboxylic acid
C17H20N2O4 (316.14230000000003)
3,5-bis-benzyloxy-pyridine-2-carbonitrile
C20H16N2O2 (316.12117159999997)
1-hexyl-3-methylimidazolium trifluoromethanesulfonate
C11H19F3N2O3S (316.10684200000003)
boc-d-1,2,3,4-tetrahydronorharman-3-carboxylic acid
C17H20N2O4 (316.14230000000003)
4-Chloro-6-methoxy-7-(4-methyl-1-piperazinyl)-3-quinolinecarbonit rile
5-(3-(BENZYLOXY)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
sodium 1-methyl 2-sulphonatododecanoate
C13H25NaO5S (316.13203200000004)
5-(3-(benzyloxy)phenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-amine
2-Boc-1,3,4,5-Tetrahydro-pyrido[4,3-b]indole-8-carboxylic acid
C17H20N2O4 (316.14230000000003)
JNJ 63533054
JNJ-63533054 is a potent, selective and orally active GPR139 agonist with an EC50 of 16 nM for human GPR139 (hGPR139). JNJ-63533054 shows selective for GPR139 over other GPCRs, ion channels, and transporters. JNJ-63533054 can cross the blood-brain barrier (BBB)[1][2].
3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-, hydrochloride (1:2)
[(2S)-2-[(2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate
Tinoridine
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
N-Isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid
C13H20N2O5S (316.10928700000005)
(E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea
C17H17FN2O3 (316.12231440000005)
2-[[Anilino(oxo)methyl]amino]-4,5-dimethoxybenzoic acid
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
N-[3-(4-morpholinyl)propyl]-2-oxo-1-benzopyran-3-carboxamide
C17H20N2O4 (316.14230000000003)
1-(3-methylphenyl)-N-(2-pyridinylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine
2-[(3-Methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-1-yl)oxy]propanoic acid methyl ester
1-(2-Chlorophenoxy)-3-(2-methyl-1-benzimidazolyl)-2-propanol
Trisilane, 1,1,1,3,3,3-hexamethyl-2-(trifluoromethyl)-2-(trimethylsilyl)-
2-(3-methoxyphenyl)-N-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridin-4-amine
9-(Chloromethyl)-9-hydroxy-1-oxo-6-propan-2-yl-3,5a,6,7,8,9a-hexahydro-2-benzoxepine-4-carboxylic acid
2-(3,4-dihydroxyphenyl)-ethyl-O-beta-D-glucopyranoside
A beta-D-glucoside having hydroxytyrosol as the anomeric substituent. Isolated from Zantedeschia aethiopica and Picrorhiza scrophulariiflora, it exhibits antioxidant activity.
Nbeta-(R,R)-epoxysuccinamoyl-(S)-2,3-diaminopropanoyl-L-valine
(2S)-2-[[(2S)-3-amino-2-[(3-carbamoyloxirane-2-carbonyl)amino]propanoyl]amino]-3-methylbutanoic acid
S-(hercyn-2-yl)-L-cysteine thio-ether
C12H20N4O4S (316.12052000000006)
(2S)-2-[[(2S)-2-amino-3-[[(2R,3R)-3-carbamoyloxirane-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoic acid
(2E,3Z)-2,3-bis[(4-methoxyphenyl)methylidene]butanedinitrile
C20H16N2O2 (316.12117159999997)
(E)-1-(1,3,6,8-tetramethoxynaphthalen-2-yl)but-2-en-1-one
Chermesinone B
An azaphilone that is 9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione substituted by methyl groups at positions 3 and 6a and a 2-methylbutanoyl group at position 9. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.
(2S,3R,4S,5S,6R)-2-[2-hydroxy-4-(2-hydroxyethyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-Deoxy-1-({2,6-Dioxo-5-[(E)-(2-Oxoethylidene)amino]-1,2,3,6-Tetrahydropyrimidin-4-Yl}amino)-D-Ribitol
2-[1-(2-hydroxybenzyl)-1H-benzimidazol-2-yl]phenol
C20H16N2O2 (316.12117159999997)
1-(4-Acetylphenyl)-3-[2-(4-fluorophenyl)ethyl]thiourea
C17H17FN2OS (316.10455640000004)
1-[(2-Methylpropylamino)methylidene]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-one
C17H20N2O4 (316.14230000000003)
N-(3-fluorophenyl)-2-pyridin-4-yl-4-quinazolinamine
3-Oxo-2-[(6-oxo-1-phenyl-3-pyridazinyl)oxy]butanoic acid ethyl ester
2-[(2-Ethyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]acetic acid methyl ester
4-[(2,4-Dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]benzoic acid methyl ester
C17H20N2O4 (316.14230000000003)
2,2-Diphenylacetic acid (2,6-dimethylphenyl) ester
1-[2-[(2-Methylphenyl)methylthio]ethyl]-3-phenylthiourea
2-oxo-1H-pyridine-3-carboxylic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester
C17H20N2O4 (316.14230000000003)
N-(1-ethyl-2-oxo-6-benzo[cd]indolyl)benzamide
C20H16N2O2 (316.12117159999997)
4-[3-(3-Methylanilino)-2-imidazo[1,2-a]pyrimidinyl]phenol
N-(3-isoxazolyl)-3-nitro-4-(1-piperidinyl)benzamide
2-[(3-Methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester
4-[(3-Fluorophenyl)methyl-(3-pyridinylmethyl)amino]-4-oxobutanoic acid
C17H17FN2O3 (316.12231440000005)
5-hydroxy-3-(4-methylphenyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylic acid ethyl ester
C14H15F3N2O3 (316.10347160000003)
2-Furanyl-[3-hydroxy-3-(trifluoromethyl)-3a,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-2-yl]methanone
C14H15F3N2O3 (316.10347160000003)
3-[[[(2R*,3R*)-3-carboxyoxiran-2-yl]carbonyl]amino]-L-alanyl-L-valine
5-hydroxy-N-[2-[[(5-hydroxy-3-pyridinyl)-oxomethyl]amino]propyl]-3-pyridinecarboxamide
1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-(2-hydroxyphenyl)propan-1-one
[(3aS,4R,9S,10aS)-2,6-diamino-9,10,10-trihydroxy-1,3a,4,5,8,9-hexahydropyrrolo[1,2-c]purin-7-ium-4-yl]methyl carbamate
4-(N-(N,N-Dimethylcarbamoyl)amino)phenoxymethyl 3-methylphenyl sulfide
2-[2-(3,4-dihydroxyphenyl)ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
dapdiamide E zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide C; major species at pH 7.3. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.
H4 Receptor antagonist 1
H4 Receptor antagonist 1 is a potent and selective histamine H4 receptor inverse agonist, with an IC50 of 19 nM.
3-(2-hydroxy-3,4,6-trimethoxyphenyl)-1-phenylpropan-1-one
5-[5-(buta-1,3-dien-1-yl)thiophen-2-yl]pent-2-en-4-yn-1-yl 3-hydroxy-3-methylbutanoate
(2e)-n-{1-[(2e)-3-(methylsulfanyl)prop-2-enoyl]pyrrolidin-2-yl}-3-phenylprop-2-enimidic acid
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2h-1-benzopyran-3-yl)phenol
5-[(1e)-2-(3,4-dimethoxyphenyl)ethenyl]-2,3-dimethoxyphenol
5-acetyl-6-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl 2-methylbut-2-enoate
(4as,6s,7r,7as)-4-(methoxycarbonyl)-7-methyl-1h,2h,4ah,5h,6h,7h,7ah-cyclopenta[c]pyridin-6-yl pyridine-3-carboxylate
C17H20N2O4 (316.14230000000003)
4-[5-(3,4-dihydroxyphenyl)-3,4-dimethyloxolan-2-yl]benzene-1,2-diol
2-[5-(2h-1,3-benzodioxol-5-yl)pentanoyl]-3-hydroxycyclohex-2-en-1-one
(2e)-3-(methylsulfanyl)-n-[(2r)-1-[(2e)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]prop-2-enimidic acid
2-({5-hydroxy-1h,4ah,5h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(6s,7ar)-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,7a-tetrahydro-4h-1-benzofuran-2-one
(3s,5e,11e)-14,16-dihydroxy-3-methyl-4,7,9,10-tetrahydro-3h-2-benzoxacyclotetradecine-1,8-dione
(3r,5e,7r,9e)-7,16-dihydroxy-3-methyl-4,7,8,12-tetrahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(2r,3s)-5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl (2z)-2-methylbut-2-enoate
2-[(8s)-2-oxo-8h,9h-furo[2,3-h]chromen-8-yl]propan-2-yl 2-methylpropanoate
(2r,3r)-5-acetyl-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl (2z)-2-methylbut-2-enoate
5-bromo-3-(3-hydroxy-3-methylpent-4-en-1-yl)-2,4,4-trimethylcyclohex-2-en-1-ol
C15H25BrO2 (316.10378099999997)
(2r)-1-(2,4-dimethoxyphenyl)-2-hydroxy-3-(4-methoxyphenyl)propan-1-one
(3r,4r,7s,7as)-7-bromo-3-(1-hydroxy-2-methylprop-2-en-1-yl)-4,7a-dimethyl-hexahydro-1h-inden-4-ol
C15H25BrO2 (316.10378099999997)
11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadeca-4,6-diene-3,8,14-trione
4-hydroxy-4-(2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)cyclohexa-2,5-dien-1-one
1-[5-(2,5-dihydroxyphenyl)furan-3-yl]-4-methylpent-3-en-1-yl acetate
5,6,7-trimethoxy-2-phenyl-3,4-dihydro-2h-1-benzopyran-4-ol
(2s,3r)-6-acetyl-5-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-3-yl (2z)-2-methylbut-2-enoate
6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,6,7,7a-tetrahydro-4h-1-benzofuran-2-one
(1r,2s)-1-[4',6-dihydroxy-3'-(prop-2-en-1-yl)-[1,1'-biphenyl]-3-yl]propane-1,2,3-triol
3-(6-hydroxy-2,3,4-trimethoxyphenyl)-1-phenylpropan-1-one
(3r)-6-[(1e)-4-(thiophen-2-yl)but-1-en-3-yn-1-yl]oxan-3-yl 3-methylbut-2-enoate
4-[3-(6-hydroxy-2h-1,3-benzodioxol-5-yl)propyl]-2,6-dimethylbenzene-1,3-diol
3-[3-(4-hydroxy-3-methoxyphenyl)prop-1-en-1-yl]-2,6-dimethoxyphenol
7-bromo-3-(1-hydroxy-2-methylprop-2-en-1-yl)-4,7a-dimethyl-hexahydro-1h-inden-4-ol
C15H25BrO2 (316.10378099999997)