Exact Mass: 316.13106700000003
Exact Mass Matches: 316.13106700000003
Found 500 metabolites which its exact mass value is equals to given mass value 316.13106700000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
Bupirimate
C13H24N4O3S (316.15690340000003)
CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9085; ORIGINAL_PRECURSOR_SCAN_NO 9084 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9035 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9048; ORIGINAL_PRECURSOR_SCAN_NO 9045 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9016; ORIGINAL_PRECURSOR_SCAN_NO 9014 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9062; ORIGINAL_PRECURSOR_SCAN_NO 9060 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9072; ORIGINAL_PRECURSOR_SCAN_NO 9070 CONFIDENCE standard compound; INTERNAL_ID 8454 CONFIDENCE standard compound; INTERNAL_ID 2585
Timolol
C13H24N4O3S (316.15690340000003)
Timolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist similar in action to propranolol. The levo-isomer is the more active. Timolol has been proposed as an antihypertensive, antiarrhythmic, antiangina, and antiglaucoma agent. It is also used in the treatment of migraine disorders and tremor. [PubChem]Like propranolol and nadolol, timolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle and beta(2)-receptors in the bronchial and vascular smooth muscle. Beta(1)-receptor blockade results in a decrease in resting and exercise heart rate and cardiac output, a decrease in both systolic and diastolic blood pressure, and, possibly, a reduction in reflex orthostatic hypotension. Beta(2)-blockade results in an increase in peripheral vascular resistance. The exact mechanism whereby timolol reduces ocular pressure is still not known. The most likely action is by decreasing the secretion of aqueous humor. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Gibberellin A9
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi it differs from gibberellin A1 in the absence of OH groups at C-2 and C-7 (gibbane numberings).
3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
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.
Bisphenol A bis(2-hydroxyethyl)ether
1-Dehydro-15alpha-hydroxytestololactone
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
N(beta)-Epoxysuccinamoyl-diaminopropionyl-valine
Capillartemisin B
Timolol
C13H24N4O3S (316.15690340000003)
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3210 KEIO_ID T098; [MS2] KO009303 KEIO_ID T098; [MS3] KO009304 KEIO_ID T098
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.
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.
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.
10-Hydroxy-8-nor-2-fenchanone glucoside
10-Hydroxy-8-nor-2-fenchanone glucoside is found in herbs and spices. 10-Hydroxy-8-nor-2-fenchanone glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). 10-Hydroxy-8-nor-2-fenchanone glucoside is found in herbs and spices.
Isopulegone caffeate
Isopulegone caffeate is found in fats and oils. Isopulegone caffeate is a constituent of Perilla frutescens var. crispa
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.
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is found in fruits. Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is a constituent of Passiflora quadrangularis (giant grandilla) Constituent of Passiflora quadrangularis (giant grandilla). Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate 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'-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.
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
6-Hydroxyazapropazone
C16H20N4O3 (316.15353300000004)
(E)-N-(3-(3-(4-Fluorophenoxy)phenyl)-1-(R,S)-methylprop-2-enyl)-N-hydroxyurea
C17H17FN2O3 (316.12231440000005)
estradiol alone
Fluorocarazolol
C18H21FN2O2 (316.15869779999997)
Isocombretastatin A4
D000970 - Antineoplastic Agents
Navoximod
C18H21FN2O2 (316.15869779999997)
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.
Gibberellin A9
Gibberellin a9 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a9 can be found in a number of food items such as black mulberry, saffron, pear, and winter squash, which makes gibberellin a9 a potential biomarker for the consumption of these food products.
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.
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
7-Hydroxy-2,3,4,6-tetramethoxy-9,10-dihydrophenanthrene
Chaetopyranin
A chromenol that is 3,4-dihydro-2H-chromene substituted by a hydroxy group at position 6, a 3-hydroxybut-1-en-1-yl at position 2, a formyl group at position 5 and a prenyl group at position 7. Isolated from Chaetomium globosum, it exhibits radical scavenging and cytotoxic activity towards several tumour cell lines.
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
[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid
Nagilactone F
A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).
3-Hydroxy-2,4,6,7-tetramethoxy-9,10-dihydrophenanthrene
6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane
Eurotirumin
2-(3,5-Dimethoxyphenyl)-3,4-dihydro-7-methoxy-2H-1-benzopyran-5-ol
4-(3-Hydroxy-3-methylbutyl)-5-(2-phenylethyl)benzene-1,2,3-triol
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].
(2S)-4-Hydroxy-5,7,3-trimethoxyflavan
4,2,6-Trihydroxy-4-methoxy-3,5-dimethyldihydrochalcone
Ethyl 2-[4-(aminocarbonyl)piperidino]-3-cyano-6-methylisonicotinate
C16H20N4O3 (316.15353300000004)
2H-1-Benzopyran-3-ol, 3,4-dihydro-5,7-dimethoxy-2-(4-methoxyphenyl)-
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)
3,6a-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
(6S)-2-trans-6-alpha-L-arabinopyranosyloxy-2,6-dimethyl-2,7-octadienoic acid
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
(11)7,14-Ortholactone-3alpha-hydroxyfloridanolide|(11)7,14-Ortholactone-3??-hydroxyfloridanolide
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
3alpha-Hydroxycycloparvifloralone|3??-Hydroxycycloparvifloralone
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
Bupirimate
C13H24N4O3S (316.15690340000003)
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.
10-Hydroxy-8-nor-2-fenchanone glucoside
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate
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)
TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE OXALATE
Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
C18H21FN2O2 (316.15869779999997)
Azepino[4,5-b]indole-5-carboxylic acid, 9-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
C18H21FN2O2 (316.15869779999997)
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
2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
5-(3-(BENZYLOXY)PHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE
Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
ethyl prop-2-enoate,2-hydroxyethyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
sodium 1-methyl 2-sulphonatododecanoate
C13H25NaO5S (316.13203200000004)
5-(3-(benzyloxy)phenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-amine
Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[ 2,3-b]pyridine-2-carboxylate
Prifelone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate
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].
Navoximod
C18H21FN2O2 (316.15869779999997)
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
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
(4-((3,5-Dimethoxybenzyl)oxy)-3,5-dimethylphenyl)boronic acid
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)
5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-alpha-(trans-4-hydroxycyclohexyl)-
C18H21FN2O2 (316.15869779999997)
Ras/Rac Transformation Blocker, SCH 51344
C16H20N4O3 (316.15353300000004)
SCH 51344 inhibits Ras induced malignant transformation and prevents anchorage-independent growth of oncogene transformed fibroblasts[1].
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.
(S)-3-hydroxy-N-methylcoclaurinium(1+)
The conjugate acid of (S)-3-hydroxy-N-methylcoclaurine; major species at pH 7.3.
(1S)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
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
Nororientalinium(1+)
The conjugate acid of nororientaline; major species at pH 7.3.
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-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol
2,2-Diphenylacetic acid (2,6-dimethylphenyl) ester
N-[4-(1-pyrrolidinyl)phenyl]-2-naphthalenecarboxamide
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
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
2-[(3-Methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-2-yl)oxy]acetic acid ethyl ester
2-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide
C16H20N4O3 (316.15353300000004)
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
1-(3,4-Dihydroxybenzyl)-2,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-2-ium
5-hydroxy-N-[2-[[(5-hydroxy-3-pyridinyl)-oxomethyl]amino]propyl]-3-pyridinecarboxamide
(5alpha,17S)-14-hydroxy-3-methoxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium
6-De(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir
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
Cyclopentylmalonic acid bis(trimethylsilyl) ester
C14H28O4Si2 (316.15260480000006)
4-(N-(N,N-Dimethylcarbamoyl)amino)phenoxymethyl 3-methylphenyl sulfide
2-(4-Azido-1-oxobutyl)pyrrolidine-1-carboxylic acid benzyl ester
C16H20N4O3 (316.15353300000004)
S(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole
C13H24N4O3S (316.15690340000003)
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.
(S)-norreticuline(1+)
A secondary ammonium ion that is the conjugate acid of (S)-norreticuline, resulting from the protonation of the secondary amino group. The major species at pH 7.3.
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
(4s)-3,5,5-trimethyl-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-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
(2e,6s)-2,6-dimethyl-6-{[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}octa-2,7-dienoic acid
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)