Exact Mass: 322.18522559999997
Exact Mass Matches: 322.18522559999997
Found 500 metabolites which its exact mass value is equals to given mass value 322.18522559999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-[8]-Gingerol
(8)-Gingerol is a beta-hydroxy ketone, a member of phenols and a monomethoxybenzene. (8)-Gingerol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). (S)-[8]-Gingerol is found in ginger. (S)-[8]-Gingerol is a constituent of ginger, the rhizome of Zingiber officinale. Constituent of ginger, the rhizome of Zingiber officinale. (S)-[8]-Gingerol is found in herbs and spices and ginger. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2]. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2].
Gelsemin
Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Zeranol
Zeranol is isolated from Fusarium species. It is an anabolic agent and estrogenic agent (mainly veterinary use). Zeranol is used as a growth promoter for food animals. It was banned by the EU in 1989, but is still permitted in the USA and some other countries. It may also arise in livestock by ingestion of Fusarium contaminated pasture or feeds D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Same as: D06362
neamine
C12H26N4O6 (322.18522559999997)
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Tetraneurin A
akuammicine
A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major.
Rapanone
Rapanone is a member of dihydroxy-1,4-benzoquinones. Rapanone is a natural product found in Badula barthesia, Ardisia crenata, and other organisms with data available. Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA2 inhibitor, with an IC50 of 2.6 μM[1][2][3][4]. Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA2 inhibitor, with an IC50 of 2.6 μM[1][2][3][4]. Rapanone is a natural benzoquinone. Rapanone exhibits a broad spectrum of biological actions, including anti-tumor, antioxidant, anti-inflammatory, antibacterial and antiparasitic. Rapanone also is a potent and selective human synovial PLA2 inhibitor, with an IC50 of 2.6 μM[1][2][3][4].
Mequitazine
Mequitazine is a histamine H1 antagonist (antihistamine). It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Same as: D01324 Mequitazine is a potent, and long-acting histamine H1 antagonist.
16beta-Chlorotestosterone
C19H27ClO2 (322.16994719999997)
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
C19H27FO3 (322.19441240000003)
monacolin L acid
A polyketide obtained by hydrolysis of the pyranone ring of monacolin L.
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dimethylnaphthalene-1,4-dione
Taleranol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Beta-Zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-Zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].
Gelsemine
Gelsemin is an indole alkaloid. Gelsemine is a natural product found in Gelsemium sempervirens and Gelsemium elegans with data available. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Butyl (S)-3-hydroxybutyrate glucoside
Butyl (S)-3-hydroxybutyrate glucoside is found in fruits. Butyl (S)-3-hydroxybutyrate glucoside is a constituent of the fruit of mountain papaya Carica pubescens
2-Hydroxyphenylacetic acid glucuronide
10-(Phosphonooxy)decyl methacrylate
C14H27O6P (322.15451720000004)
9-Amino-N-[3-(Dimethylamino)Propyl]Acridine-4-Carboxamide
Apovincaminic acid
Bis(2-ethylhexyl) hydrogen phosphate
C16H35O4P (322.22728400000005)
3-((Dimethylamino)methyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one
Cytosporone B
Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.
Gelsemin
Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Neamine
C12H26N4O6 (322.18522559999997)
8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dihydro-purine-2,6-dione
C16H23FN4O2 (322.18049499999995)
Potassium octadecanoate
It is used in foods as a binder, emulsifier, anticaking agent, defoaming agent and masticatory substance.
(-)-jasmonoyl-L-isoleucine
C18H28NO4 (322.20182280000006)
(-)-jasmonoyl-l-isoleucine belongs to isoleucine and derivatives class of compounds. Those are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom (-)-jasmonoyl-l-isoleucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (-)-jasmonoyl-l-isoleucine can be found in a number of food items such as fruits, jerusalem artichoke, sea-buckthornberry, and borage, which makes (-)-jasmonoyl-l-isoleucine a potential biomarker for the consumption of these food products.
[5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one
6alpha-Acetoxy-9beta,10beta-epoxy-4alpha-hydroxy-11(13)-guaien-12,8alpha-olide
ent-8beta,16-Dihydroxy-17-nor-6,13E-labdadien-15-oic acid
Mitoridine
13-Acetoxy-4alpha,5alpha-epoxy-8alpha-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide
3-(hydroxymethyl)-3,3,3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2-oxiran]-2-yl acetate
Decahydro-alpha,4a-dimethyl-8-methylene-7-(2-methyl-1-oxopropoxy)-2-naphthaleneacetic acid
(1alpha,2beta,4abeta,5beta,8aalpha)-(+-)-decahydro-4a-methyl-8-methylene-2-(1-methylethyl)-1,5-naphthalenediol diacetate
(+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxycoumarin
2alpha-Acetoxy-5alpha-hydroperoxyisosphaerantholide
13-Desacetyl-1alpha-hydroxyafraglaucolide
13-Desacetyl-1beta-hydroxyafraglaucolide
1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
1,4-Naphthalenedione, 6-[2-(2,2-dimethyl-6-methylene-3-oxocyclohexyl)ethyl]-
[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,3,4,4a,5,6,8a-octahydro-4-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
CYTOSPORONE B
Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.
(1R*,3R*,6R*,7R*,8R*)-3-acetoxy-4,10(14),11(13).trien-6,12-olide
1-[4-[[4-(acetyloxy)-3-methyl-2-butenyl]oxy]-2,6-dihydroxyphenyl]-2-methyl-1-propanone
10-acetoxy-8-hydroxy-9-O-angeloylthmol|8-Hydroxy-10-acetoxythymol 9-O-angelate
(5R)-5-(4-{(1S,5R)-1-hydroxy-5-[(2R,3E)-2-hydroxypent-3-en-1-yl]-4-oxocyclopent-2-en-1-yl}butyl)dihydrofuran-2(3H)-one
(1beta,7beta,8beta)-8-(acetyloxy)-1-hydroxycostic acid methyl ester|1beta-hydroxy-8beta-acetoxycostic acid methyl ester|1??-Hydroxy-8??-acetoxycostic acid methyl ester
oblongolide M|{(1R,3aS,5aR,7S,9aS,9bR)-1-acetyl-1-hydroxy-1,3,3a,5a,6,7,8,9,9a,9b-decahydro-9b-methylnaphtho[1,2-c]furan-7-yl} methyl acetate
methyl 12-acetoxy-13,14,15,16-tetranor-1(10)-ent-halimen-18-oate
Gelsemine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2295 Annotation level-1 Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
1,5-DI-O-ACETYL-2,3,4,6-TETRA-O-METHYLHEXITOL (1-D)
4-[2-(4-hydroxyphenyl)ethyl]-6-[(3-methyl-2-butenyl)oxy]benzofuran|xinjiastilbene B
2beta-acetoxy-8alpha,13-dihydroxygermacra-1(10),4,7(11)-trien-6alpha,12-olide
8alpha-Acetoxy-3,4-didehydro-4,5-dihydro-5alpha-hydroperoxyosmitopsin
6-alpha-acetyl-4-O-oxobedfordiaic acid methyl ester
(2S,4R,6S)-4-acetoxy-2-(3,4-dihydroxyphenyl)-6-pentyltetrahydropyran
1,2:4,6-Di-O-ethylidene,3-benzyl-alpha-D-Pyranose-Allose
flabelliformide A|rel-(4R,4aR,13aS)-4-ethyl-3,4,4a,5,7,13a-hexahydro-2-methyl-1H-pyrido[3,4:5,6]cyclooct[1,2-b]indole-1,6(2H)-dione
(1aRS,2aSR,6RS,7aSR,9aRS)-6-(acetyloxy)-2,2a,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethylbisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one|(3beta,4alpha,6alpha,8beta,9beta,10alpha)-8-(acetyloxy)-3,4:9,10-diepoxygermacr-7(11)-eno-12,6-lactone
(+)-miliusane III|8beta,9beta-dihydroxy-1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
(3aS,5aS,6R,9aR,9bS)-(3a-hydroxy-6,9a,9b-trimethyl-3,7-dioxo-dodecahydrocyclopenta[alpha]naphthalen-6-yl)acetic acid|Barbacenic acid
13-acetoxy-1beta,8alpha-dihydroxyeudesma-3,7(13)-dien-6alpha,12-olide
N(1)-methyl-14,15-didehydro-12-methoxyaspidofractinine
8alpha-Acetoxy-1,5-didehydro-4,5-dihydro-4alpha-hydroperoxyosmitopsin
4,10-Dimethyl-14,15-dihydro-7H-cyclohepta[1,2-a:5,4-a]dinaphthalene
13-acetoxy-1beta,8alpha-dihydroxyeudesma-4(15),7(13)-dien-6alpha,12-olide
13-acetoxy-9beta-hydroxy-1beta,10alpha-epoxygermacra-4,7(11)-dien-6alpha,12-olide
1beta-hydroxy-8beta-acetoxy-isocostic acid methyl ester|1beta-hydroxy-8beta-acetoxyisocostic acid methyl ester|1??-Hydroxy-8??-acetoxyisocostic acid methyl ester
Decarboomethoxyapocuanzine|demethoxycarbonyl-apocuanzine|ent-17beta,21-epoxy-12-methoxy-eburnamenine
6beta-acetoxy-7beta,8beta-epoxy-1-oxo-10beta,11betaH-eremorphilan-12,8-olide
(E)-1alpha,10beta-epoxy-3beta-acetoxy-6alpha-hydroxygermacra-4,11(13)-dien-12,8alpha-olide|(E)-1??,10??-Epoxy-3??-acetoxy-6??-hydroxygermacra-4,11(13)-dien-12,8??-olide
Asnipyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
(-)-(3aS,5R,7aR)-4,4-dimethyl-7a-hydroxymethyl-2-oxo-2,3,3a,4,5,7a-hexahydrobenzo[b]furan-5-yl-3,4-dimethyl-3-pentenoate|3-teracrylmelazolide A
anomalone B|methyl 8-((1S,5S)-5-((S,E)-2-hydroxypent-3-enyl)-4-oxocyclopent-2-enyl)octanoate
2-acetoxy-10beta-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
N(1)-formyl-14,15-didehydro-12-hydroxyaspidofractinine
2-(1,4-dihydroxycyclohexyl)ethyl caffeate|2-(cis-1,4-dihydroxycyclohexyl)ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
anomalone A|methyl 8-((1S,5R)-1-hydroxy-4-oxo-5-((Z)-pent-2-enyl)cyclopent-2-enyl)octanoate
[1R,(?)]-6alpha-Acetyloxy-1,2,3,4,4aalpha,5,6,8aalpha-octahydro-4alpha-hydroxy-4,7-dimethyl-alpha-methylene-1alpha-naphthaleneacetic acid methyl ester
14-acetoxy-4beta,5alpha-epoxydesacetyl laurenobiolide
8-O-acetyl-3,10-dihydroxy-4(15),11(13)-guaiadien-12,6-olide|borenolide
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylpyridine-3-carboxamide
5-O-ethyl embelin
A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a ethoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antineoplastic activity.
(7RS)-5-{(RS)-[(7RS)-6,7-dihydro-7-methyl-5H-cyclopenta[c]pyridin-4-yl]hydroxymethyl}-6,7-dihydro-7-methyl-5H-cyclopenta[c]pyridine-4-carbaldehyde|argutane A
2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide
A guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
(1RS,3aSR,8aSR)-3-(1-hydroxyhexyl)-3a-methyl-3a,8a-dihydro-3H,4H,5H-benzo[1,2-b;4,5-c]difuran-2,4,5-trione|annulohypoxyboverin
1,4-(propyl-2,2-dioxy)-8alpha-hydroxy-10beta-eudesman-6alpha,12-olide
(1E,3aS,12bS,13aS)-1-ethylidene-1,2,6,7,12,12b,13,13a-octahydro-3a-methylfuro[2,3-g]indolo[2,3-a]quinolizin-4(3aH)-one|Latifoliamide A
1beta,3beta-dihydroxy-13-acetoxy-eudesma-4(15),7(11)-dien-12,6alpha-olide
6beta-acetoxy-1beta,10alpha-dihydroxyeremophil-7(11),8-diene-12,8-olide
2-(Hydroxymethyl)-2,5-dimethyl-4-hydroxy-6-(2-ethoxyethyl)-7-ethoxymethylindan
(2S,3R,5S,9R,10S,13S)-16-nor-2,3-dihydroxy-ent-pimar-8(14)-en-15-oic acid|norflickinflimiod A
(+)-(3R,4R,5S,6S,7R,8S)-8-acetoxy-3,4-dihydroxyguai-1(10),11(13)-dien-6,12-olide|argyinolide G
Me ester-(10E,12Z,14E,16RS)-16-Hydroxy-9-oxo-10,12,14-octadecatrienoic acid
3-[(7-Hydroxy-1-hexadecene-3,5-diynyl)oxy]-1,2-propanediol
3,5-dihydroxy-6-methyl-octanoic acid 5-O-alpha-L-arabinofuranoside
10-acetoxy-8,10-dehydro-9-isobutyryloxy-6-methoxy-thymol
4-[(3,7-Dimethyl-5-oxooctyl)oxy]-3-hydroxybenzoic acid methyl ester
2-(9-Oxoundecyl)-3,5-dimethyl-6-methoxy-4H-pyran-4-one
2,4-dimethoxy-2,2-dimethylchromene(5,6,3,4)-stilbene|Di-Me ehter-(E)-7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran
2,2,6-Trimethyl-4-(butanoyloxymethyl)-5-(2-chloroethyl)indan
C19H27ClO2 (322.16994719999997)
2alpha-acetoxy-6alpha-hydroxy-4alpha,5beta-epoxygermacra-1(10)E,11(13)-dien-12,8alpha-olide
Marsectobiose (O4--D-oleandrose)|Marsectobiose [O4-(beta-D-Theretopyranosyl)-D-oleandrose]
Cannagunin|cannagunine|ent-1-methyl-19-oxa-19a-homo-yohimb-16-en-18-one|ent-19-hydroxy-1-methyl-18,19-seco-yohimb-16c-en-18-oic acid lactone
ent-19-nor-4,16,18-trihydroxy-8(14)-pimaren-15-one
(ent-16alphaOH)-16,17-Dihydroxy-19-nor-18-kauranoic acid|16beta,17-dihydroxy-19-nor-ent-kauran-18-oic acid
2-methyl-4-[2,4,6-trihydroxy-3-(2-methyl-propanoyl)phenyl]but-2-enyl acetate
10-methoxy-nor-C-fluorocurarine|10-Methoxynor-C-fluorocurarine
5alpha,6alpha-epoxy-2alpha-acetoxy-4alpha-hydroxy-1beta,7alpha-guaia-11(13)-en-12,8alpha-olide
(12Z,19Z)-docosa-12,19-diene-3,5,10,21-tetrayne-1,2(R)-diol|callyspongidiol
Di-Me ester-ent-14,15,16-Trionor-3-clerdene-13,18-dioic acid|nor-hardwickiic acid methyl ester
8-hydroxy-14-oxo-15-nor-labd-13(16)-en-19-oic acid
L-HYOSCYAMINE SULFATE
C17H24NO5S0.5 (322.16543939999997)
L-Hyoscyamine sulfate (Daturine sulfate), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine sulfate is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine sulfate (Daturine sulfate), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine sulfate is a levo-isomer to Atropine (HY-B1205)[1][2].
Koumine N-oxide
1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-one
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
Bis(2-ethylhexyl)phosphate
C16H35O4P (322.22728400000005)
CONFIDENCE standard compound; INTERNAL_ID 2477 CONFIDENCE standard compound; INTERNAL_ID 8833
C17H22O6_[3,8-Dihydroxy-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methyl acetate
C17H22O6_11,13-Dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
C20H22N2O2_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (3Z)
Zeranol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen Same as: D06362 CONFIDENCE Reference Standard (Level 1)
13,15-dihydroxy-9-methoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
Haplamidine
Origin: Plant; SubCategory_DNP: Putrescine alkaloids, Bisamide alkaloids
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one [IIN-based: Match]
Solvent Blue 36
CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10471; ORIGINAL_PRECURSOR_SCAN_NO 10467 CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10492; ORIGINAL_PRECURSOR_SCAN_NO 10487 CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10542
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_major
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_25.9\\%
b-Zearalanol
Beta-Zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-Zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].
8-(3-((2-Carboxypropan-2-yl)oxy)phenyl)octanoic acid
Butyl (S)-3-hydroxybutyrate glucoside
4,6-Dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexen-1-one
Clostebol
C19H27ClO2 (322.16994719999997)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
2-[(4-phenylpiperidin-1-yl)methyl]-1-benzothiophen-5-amine
3-[N,N-Bis(methoxycarbonylethyl)]amino-acetanilide
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide,hydrochloride
7-FLUORO-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide
C17H30N2O2Si (322.20764399999996)
TERT-BUTYL 5-CHLOROSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
N-Benzyloxycarbonyl-4-[(3R)-3-amino-1-oxo-4-(hydroxy)butyl]morpholine
CIS/TRANS-DISALYCYLIDENE-1,2-CYCLOHEXYLIDENEDIAMINE
tert-butyl4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate
C17H26N2O4 (322.18924760000004)
ETHYL 4-((1-METHYLPIPERIDIN-4-YL)METHOXY)-2-AMINO
C17H26N2O4 (322.18924760000004)
1-BOC-3-[(2-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
10-(Phosphonooxy)decyl methacrylate
C14H27O6P (322.15451720000004)
1-BOC-3-[(3-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
(R)-(9H-fluoren-9-yl)Methyl 2-Methylpiperazine-1-carboxylate
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
TERT-BUTYL 3-(4-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
tert-Butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate
tert-butyl 4-(3-amino-2-nitrophenyl)piperazine-1-carboxylate
4-[2-(CHLOROMETHYL)BENZIMIDAZOL-1-YL]BUTYL PIVALATE
2,2-azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride
C12H24Cl2N6 (322.14394039999996)
Nonylphenol, ethoxylated, carboxylated, sodium salt
Benzyl spiro[indoline-3,4-piperidine]-1-carboxylate
1-BENZYL-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDIN]-4(5H)-ONE
4-(4-Chloro-2-Methylphenoxy)-1-piperidin-4-ylmethyl-piperidine
(9H-Fluoren-9-yl)Methyl (pyrrolidin-2-ylmethyl)carbamate
7-methyl-N-[2-(methylamino)phenyl]-2-propyl-3H-benzimidazole-5-carboxamide
(3-Nitro-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
1H-Pyrrolo[2,3-b]pyridine, 3-(chloromethyl)-1-[tris(1-methylethyl)silyl]-
C17H27ClN2Si (322.16319319999997)
4-CHLORO-5-METHYL-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
C17H27ClN2Si (322.16319319999997)
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
6-Benzyl-2-(2-phenoxyethyl)-2,6-diazaspiro[3.3]heptan-1-one
buta-1,3-diene,N-(methoxymethyl)-2-methylprop-2-enamide,2-methylprop-2-enoic acid,prop-2-enenitrile
C17H26N2O4 (322.18924760000004)
Benzoic acid,1,1-[2,2-(1,2-dimethyl-1,2-ethanediylidene)dihydrazide]
Mesocarb
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
tert-butyl 4-(3-amino-4-nitrophenyl)piperazine-1-carboxylate
N-[(2-Cyano-(1,1-biphenyl)-4-yl)methyl)]valine methyl ester
4,4,5,5-Tetramethyl-2-(4-n-octyl-2-thienyl)-1,3,2-dioxaborolan
6-HYDROXY-1-ISOPROPYL-4-(4-ISOPROPYLPHENYL)QUINAZOLIN-2(1H)-ONE
tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate
thonzylamine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-octylthiophene
1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
propyl 3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxylate
tert-butyl N-[cyano-(3,4,5-trimethoxyphenyl)methyl]carbamate
Methyl 4,5-dimethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
TERT-BUTYL 3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXYLATE
2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl methacrylate
C13H26O7Si (322.14477259999995)
N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N-methylnicotinamide
1-N-Boc-Amino-1-N-methyl-3-N-Cbz-aminopropane
C17H26N2O4 (322.18924760000004)
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
KC3GI9UM9V
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,5S,7aR,12bS,13R)-
19-Chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
16beta-Chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
mequitazine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Same as: D01324 Mequitazine is a potent, and long-acting histamine H1 antagonist.
23513-08-8
8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2]. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2].
5-Ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
[(4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
(2E,4E,6E,8E,10E,12E,14E,16E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16-octadecaoctenedial
(2S,3S,5S,6R,11S)-2-ethenyl-4-methylspiro[1H-indole-3,7-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
(2S,3R,5S,6R,8S,11R)-2-Ethenyl-4-methylspiro[1H-indole-3,7-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
4-(Methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile
3-Methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile
N-methyl-2-phenyl-N-[1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide
1-Cyclohexyl-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
C17H26N2O2S (322.17148960000003)
(E)-N-(4-Morpholin-4-ylmethyl-phenyl)-3-phenyl-acrylamide
2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide
(2S)-5-{[azaniumyl(imino)methyl]amino}-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}pentanoate
[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
N-(2-methyl-4-oxo-1-propyl-6-quinolinyl)-2-pyrazinecarboxamide
(2S,3S)-3-methyl-2-(2-{(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate
C18H28NO4- (322.20182280000006)
N-(morpholin-4-ylcarbonothioyl)tricyclo[4.3.1.1~3,8~]undecane-3-carboxamide
C17H26N2O2S (322.17148960000003)
10-[2-(4-Hydroxyphenyl)ethylamino]-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
N-pyrazin-2-yl-2-({1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}amino)acetamide
2alpha-(2-Pyrrolyl)-4alpha-methoxycarbonyl-5beta-[(2-methyl)-heptyl]-1,3-oxazacyclohexane
An oxazinane alkaloid that is methyl (4S)-1,3-oxazinane-4-carboxylate substituted by a (1H-pyrrol-2-yl group at position 2 and a 2-methylheptyl group at position 5. Isolated from Celastrus angulatus, it exhibits cytotoxic activity.
3,7,7-Trimethyl-4-(4-methylphenyl)-4,4a,6,8-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one
(3R)-N-[(5S)-6-hydroxy-5-[[(3R)-3-isocyanobutanoyl]amino]hexyl]-3-isocyanobutanamide
Smaditerpenic acid C
A diterpenoid isolated from the leaves of Smallanthus sonchifolius.
(5-Acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl) acetate
2-Amino-6-(3-methoxy-4-hydroxycinnamoylamino)hexanoic acid
4-chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
4-Octyloxybenzoic acid trimethylsilyl ester
C18H30O3Si (322.19641099999996)
2,3-dihydroxypropyl (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
Methyl 2,6-dimethyl-9-(N-methylpiperazinylcarbamoyl)-2,6-nonadienoate
3-Benzyloxy-2-methylbutane-1,1-dicarboxylic acid diethyl ester
(1alpha,4aR,7alpha)-2,3,4a,9a-Tetrahydro-4abeta,9aalpha-dimethoxy-8-oxaspiro[7H-cyclohepta-1,4-dioxin-7,9-bicyclo[5.2.0]nonane]
(1alpha,7alpha)-2,3,4a,9a-Tetrahydro-4aalpha,9abeta-dimethoxy-8-oxaspiro[7H-cyclohepta[1,4]dioxin-7,9-bicyclo[5.2.0]nonane]
(5E)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
(2S,5E,8R,9R,12R)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
2,3-dihydroxypropyl (7E,9E,11E,13E)-hexadeca-7,9,11,13-tetraenoate
8-GINGEROL
(8)-Gingerol is a beta-hydroxy ketone, a member of phenols and a monomethoxybenzene. (8)-Gingerol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2]. 8-Gingerol, found in the rhizomes of ginger (Z. officinale) with oral bioavailability, activates TRPV1, with an EC50 of 5.0 μM. 8-Gingerol inhibits COX-2, and inhibits the growth of H. pylori in vitro[1][2].
(19E)-2,16,19-20-Tetradehydrocuran-17-oic acid methyl ester
N-[(+)-7-isojasmonyl]-L-isoleucinate
C18H28NO4 (322.20182280000006)
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one
Phe-Arg(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Phe-Arg; major species at pH 7.3.
Arg-Phe(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Arg-Phe; major species at pH 7.3.
DG(15:4)
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Oxotremorine (sesquifumarate)
Oxotremorine sesquifumarate is a mAChR agonist that mainly activates M2 receptors. Oxotremorine sesquifumarate can be used for neurological research[1][2].
UCSF924
UCSF924 is a potent and specific dopamine D4 receptor (DRD4) partial agonist with a EC50 of 4.2 nM. UCSF924 has a high-affinity with a Ki value of 3 nM for DRD4 and shows no measurable affinity for D2, D3 or the F261V/L328F D4 mutant. UCSF924 is a 7.4-fold bias toward arrestin over Gαi/o signaling, referenced to quinpirole[1].
WWL229
WWL229 is a selective inhibitor of carboxylesterase 3 (Ces3) with an IC50 of 1.94 μM. WWL229 promotes lipid storage in cultured adipocytes and prevents basal lipolysis[1].