Exact Mass: 350.1893
Exact Mass Matches: 350.1893
Found 500 metabolites which its exact mass value is equals to given mass value 350.1893
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(1R)-trans-Phenothrin
Fenugrin a, also known as sumithrin or phenothrin, (1s-cis)-isomer, is a member of the class of compounds known as pyrethroids. Pyrethroids are organic compounds similar to the pyrethrins. Some pyrethroids containing a chrysanthemic acid esterified with a cyclopentenone (pyrethrins), or with a phenoxybenzyl group. Fenugrin a is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Fenugrin a can be found in fenugreek, which makes fenugrin a a potential biomarker for the consumption of this food product. Fenugrin a is a non-carcinogenic (not listed by IARC) potentially toxic compound. Following oral exposure, the treatment is symptomatic and supportive and includes monitoring for the development of hypersensitivity reactions with respiratory distress. Provide adequate airway management when needed. Gastric decontamination is usually not required unless the pyrethrin product is combined with a hydrocarbon. Following inhalation exposure, move patient to fresh air. monitor for respiratory distress. If cough or difficulty breathing develops, evaluate for respiratory tract irritation, bronchitis, or pneumonitis. Administer oxygen and assist ventilation as required. Treat bronchospasm with inhaled beta2 agonist and oral or parenteral corticosteroids. In case of eye exposure, irrigate exposed eyes with copious amounts of room temperature water for at least 15 minutes. If irritation, pain, swelling, lacrimation, or photophobia persist, the patient should be seen in a health care facility. If the contamination occurs through dermal exposure, Remove contaminated clothing and wash exposed area thoroughly with soap and water. A physician may need to examine the area if irritation or pain persists. Vitamin E topical application is highly effective in relieving parenthesis (L363) (T3DB). P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
alatolide
A germacrane sesquiterpenoid laactone obtained by formal condensation of the carboxy group of isobutyric acid with the secondary hydroxy group of trihydroxygermaeranolide.
Arctiopicrin
Arctiopicrin belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Arctiopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Arctiopicrin can be found in burdock, which makes arctiopicrin a potential biomarker for the consumption of this food product.
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is found in fats and oils. (1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside is found in fats and oils and herbs and spices.
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is found in fats and oils. (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside is found in fats and oils and herbs and spices.
Millefin
Millefin is found in herbs and spices. Millefin is a constituent of Achillea millefolium (yarrow). Constituent of Achillea millefolium (yarrow). Millefin is found in herbs and spices.
Calonectrin
Mycotoxin. of Calonectria nivalis Mycotoxin. of Calonectria nivali
trans-p-Menthane-1,7,8-triol 8-glucoside
trans-p-Menthane-1,7,8-triol 8-glucoside is found in herbs and spices. trans-p-Menthane-1,7,8-triol 8-glucoside is a constituent of Foeniculum vulgare (fennel) Constituent of Foeniculum vulgare (fennel). cis-p-Menthane-1,7,8-triol 8-glucoside is found in herbs and spices.
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is found in fats and oils. (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is a constituent of fruit of Carum carvi (caraway). Constituent of fruit of Carum carvi (caraway). (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside is found in fats and oils and herbs and spices.
Ethyl apovincaminate
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
Romergoline
5-((2-(Diethylamino)ethyl)amino)-8-hydroxy-6H-imidazo[4,5,1-de]acridin-6-one
Carthamoside A1
Carthamoside a1 is a member of the class of compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. Carthamoside a1 is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Carthamoside a1 can be found in safflower, which makes carthamoside a1 a potential biomarker for the consumption of this food product.
Vinpocetine
Vinpocetine is an alkaloid. It has a role as a geroprotector. Vinpocetine has been investigated for the treatment of Epilepsy. N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C932 - Vinca Alkaloid Compound C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1907 - Drug, Natural Product D020011 - Protective Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.895 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.892 Vinpocetine (Ethyl apovincaminate) is a derivative of the alkaloid Vincamine that blocks voltage-gated Na+ channels. The IC50 value of Vinpocetine on direct IKK inhibition in the cell-free system is 17.17 μM. Vinpocetine is a phosphodiesterase (PDE) inhibitor and inhibits NF-κB-dependent inflammatory responses by directly targeting IκB kinase complex (IKK), and has been widely used for the treatment of cerebrovascular disorders[1][2][3]. Vinpocetine (Ethyl apovincaminate) is a derivative of the alkaloid Vincamine that blocks voltage-gated Na+ channels. The IC50 value of Vinpocetine on direct IKK inhibition in the cell-free system is 17.17 μM. Vinpocetine is a phosphodiesterase (PDE) inhibitor and inhibits NF-κB-dependent inflammatory responses by directly targeting IκB kinase complex (IKK), and has been widely used for the treatment of cerebrovascular disorders[1][2][3].
2-Methyl-4-methoxy-5-methyl-2-[2-[(2-methyl-1-oxopropoxy)methyl]oxiranyl]phenyl ester
1.Xi.,5.xi.,7.xi.,10.xi.-Ambros-11(13)-en-12-oic acid, 1,6,14-trihydroxy-4-oxo-, .gamma.-lactone,14-isobutyrate
6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
ent-15,16-Epoxy-2beta,3beta,19-trihydroxy-18-nor-13(16),14-labdadiene-7,12-dione
(E,E)-5-[4-(Acetyloxy)-2-methyl-2-butenyl]-3-[5-(acetyloxy)-4-methyl-3-pentenyl]-2(5H)-furanone
6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Ethyl eburnamenine-14-carboxylate
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002491 - Central Nervous System Agents > D018697 - Nootropic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids D020011 - Protective Agents
5beta-angeloyloxy-3a,4,5,6,7,7a-hexahydro-3abeta-methyl-1H-indene-2,4beta-dioic acid dimethyl ester
O3-Me,O1-(3-methyl-2-butenyl),di-Ac-3,5-Dihydroxy-4-methyl-1,2-benzenedimethanol
10-hydroxydecanoic acid 10-O-beta-D-glucopyranoside
3,7-dimethyl-1-octene-3,6,7-triol-6-O-beta-D-glucopyranoside|3,7-dimethyloct-1-ene-3,6,7-triol 6-O-beta-D-glucopyranoside
(1S,2S,4R,8R)-p-menthane-1,2,9-triol 2-O-beta-D-glucopyranoside
4-hydroxy-3-[(1R,6R)-3-methyl-6-(1-methylethyl)cyclohex-2-en-1-yl]-6-[(1E)-2-phenylethenyl]-2H-pyran-2-one|katsumadain
9beta-hydroxy-8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
ent-15beta-fluoro-1beta,7alpha-dihydroxy-19-norkaur-16-ene-4beta,6beta-carbolactone
9alpha-isobutyryloxy-4beta,5alpha-epoxydesacetyl laurenobiolide
1beta,10alpha-dihydroxy-6beta-[(2-methylpropyl)oxy]furanoeremophil-9-one|rel-(4S,4aS,5S,8R,8aR)-4,4a,5,6,7,8,8a-octahydro-8,8a-dihydroxy-3,4a,5-trimethyl-9-oxonaphtho[2,3-b]furan-4-yl 2-methylpropanoate
(-)-(1S,2R,3S,6R,9S,10R)-2alpha,3alpha-diacetoxy-9alpha-hydroxyamorpha-4,7(11)-dien-8-one
3beta,8alpha-dihydroxy-6beta-isobutyryloxyeremophil-1(10),7(11)-dien-12,8beta-olide
9beta,15-diacetoxygermacra-1(10),4-dien-11beta,13-dihydro-6alpha,12-olide
14-hydroxy-8beta-isobutyryloxy-1beta,10alpha-epoxycostunolide
1alpha,3beta-diacetoxyeudesm-4-en-6beta,11betaH-12,6-olide
3beta,8alpha-dihydroxyguaia-4(15),10(14)-dien-1alpha,5alpha,6beta,11betaH,12,6-olide 8-O-<2(S)-3-hydroxy-2-methylpropionate>
2beta-ethoxy-2,3-dihydrohelenalin-6-O-acetate|2beta-ethoxy-6-O-acetyl-2,3-dihydrohelenalin
8-(2-Methylpropanoyl)-(1(10)E,4beta,5alpha,6beta,7alpha,8alpha)-form-4,5-Epoxy-7,8-dihydroxy-1(10),11(13)-germacradien-12,6-olide
2beta,4a,8xi-Trihydroxy-1beta,8xi-dimethyl-4aalpha,7beta-gibban-1alpha,10beta-dicarbonsaeure-1=>4a-lacton|2beta,4a,8xi-trihydroxy-1beta,8xi-dimethyl-4aalpha,7beta-gibbane-1alpha,10beta-dicarboxylic acid-1=>4a lactone|Gibberellin A(2)|Gibberellin-A(2)
2-Methylbutyric acid [3-[3-methoxy-4-(isobutyryloxy)phenyl]oxiranyl]methyl ester
10alpha-hydroxy-9alpha-isobutyryloxy-1alpha,4alpha-endoperoxyguaia-2,11(13)-dien-12,6alpha-olide
(1R,4S)-1,5-cyclo-5alpha-hydroxy-8alpha-isobutyryloxy-7alpha,10alpha-oxagermacran-12,6beta-olide
(1aR,4S,4aS,5S,5aS,6S,8aS,9aS)-octahydro-4,4a,6-trimethyl-7-oxo-5a,8a-epoxyoxireno[8,8a]naphtho[2,3-b]furan-5(9H)-yl 2-methylpropanoate|11alphaH-6beta-isobutyryloxy-1beta,10beta,7beta,8beta-diepoxyeremophilan-12,8alpha-olide
(-)-12,15-diacetoxy-6beta-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
(-)-6beta,12-diacetoxy-15-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
(-)-6beta,15-diacetoxy-12-hydroxy-1beta,7alpha,10beta-H-guaia-4,11(13)-dien-3-one
4beta,15beta-dihydroxy-2a-isobutyryloxyguaiac-10(14),11(13)-dien-8beta,12-olide|minimolide G
(4S,4aS,5S,8R,8aS)-4,4a,5,6,7,8,8a,9-octahydro-8,8a-dihydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
Spiro[furan-3(2H),2-[2H]inden]-2-one, 1,7-bis(acetyloxy)decahydro-3a,4-dimethyl-4-methylene-, [1R-(1.alpha.,2.alpha.,3a.alpha.,4.alpha.,7.beta.,7a.alpha.)]-
15-hdyroxy-8alpha-(3-hydroxy-isobutanoyloxy)-elemane-1,3,11(13)-trien-12,6-olide
19-methylene-ibogamine-18-carboxylic acid methyl ester|Coronaridin
ethyl 6-deoxy-3-O-methyl-beta-D-glucopyranosyl-(1->4)-2,6-dideoxy-3-O-methyl-beta-D-arabino-hexopyranoside|ethyl beta-D-thevetopyranosyl-(1->4)-beta-D-oleandropyranoside
5-Hydroxy-2-(8-phenyloctyl)-4H-1-benzopran-4-one|castanone
9-(2-Methylpropanoyl)-(1(10)E,4beta,5alpha,6alpha,8alpha,9alpha)-4,5-Epoxy-8,9-dihydroxy-1(10),11(13)-germacradien-12,6-olide
4alpha-[2-hydroxymethylacryloxy]-1beta-hydroxy-14-(5->6)abeoeremophilan-12,8-olide
11beta,13-Dihydro-8alpha-hydroxy-1alpha-<2-(hydroxymethyl)acryloyloxy>cyclocostunolid|11beta,13-Dihydro-8alpha-hydroxy-1alpha-[2-(hydroxymethyl)acryloyloxy]cyclocostunolid
9alpha,14-dihydroxy-15-isobutyryloxy-costunolide|9alpha,14-dihydroxy-15-isobutyryloxycostunolide
(3E,6alpha,8beta)-6,14,15-trihydroxy-8-(2-methylacryloxy)germacra-3,11(13)-dieno-12,6-lactone|8alpha-methylacryloxy-14,15-dihydroxy-3(4),11(13)-germacradien-6,12-olide
benzastatin C
A quinoline alkaloid that is 1,2,3,4-tetrahydroquinoline-6-carboxamide substituted by a chloro group at position 3 and a 3,4-dimethylpent-3-en-1-yl and a methoxymethyl group at position 2 (the 2R,3R stereoisomer). Isolated from the culture broth of Streptomyces nitrosporeus 30643, it exhibits inhibitory potential against lipid peroxidation and anti-HSV activity.
(1S,2S,4R)-p-Menth-1,2,8-triol 2-O-??-D-glucopyranoside|(1S,2S,4R)-p-menthane-1,2,8-triol 2-O-beta-D-glucopyranoside
(+)-12,13-epoxy-3alpha,8alpha-dihydroxytrichothec-9-en-4beta-yloxy isocrotonate|trichothecinol C
2-oxo-10alpha-peroxi-8beta-isobutyryloxyguaia-3,11(13)-dien-12,6alpha-olide
16-acetoxy-3,15-dimethyl-17-nor-cura-2(16),19-diene
1-[6-[(3,7-dimethyl-2,6-octadienyl)oxy]-2,4-dihydroxy-3-methoxyphenyl]-2-hydroxyethanone
8-(2-Methylpropanoyl)-(1alpha,4beta,5beta,6beta,7alpha,8alpha,10alpha)-form-7,10-Epoxy-4,8-dihydroxy-11-guaien-12,6-olide
16, 17-dihydro-16alpha, 17-dihydroxy gibberellin A9
Anticancer agent 96
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
phenothrin
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03A - Ectoparasiticides, incl. scabicides > P03AC - Pyrethrines, incl. synthetic compounds D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5809; ORIGINAL_PRECURSOR_SCAN_NO 5806 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5831; ORIGINAL_PRECURSOR_SCAN_NO 5829 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5837; ORIGINAL_PRECURSOR_SCAN_NO 5834 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5839; ORIGINAL_PRECURSOR_SCAN_NO 5837 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10868; ORIGINAL_PRECURSOR_SCAN_NO 10863 CONFIDENCE standard compound; INTERNAL_ID 672; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10984; ORIGINAL_PRECURSOR_SCAN_NO 10980
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_major
[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_29.0\\%
2-Pyrrolidinone, 4-(2-morpholinoethyl)-3,3-diphenyl-
trans-p-Menthane-1,7,8-triol 8-glucoside
Calonectrin
(1R,2R,4S)-p-Menthane-1,2,8-triol 8-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside
2,5-dibenzyl-hexahydro-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid methyl ester
(3S,4R)-1-BOC-3-HYDROXYMETHYL-4-(4-FLUOROPHENYL)-PIPERIDINE
BENZYL 3-((TERT-BUTOXYCARBONYLAMINO)METHYL)-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
Ethyl 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-4-methylpyrimidine-5-carboxylate
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINEHYDROCHLORIDE
TERT-BUTYL5-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-3-YLCARBAMATE
(3R,4R)-3-(Boc-amino)-1-Cbz-4-(hydroxymethyl)pyrrolidine
methyl 4-fluoro-1-[tris(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
2-(4-BOC-PIPERAZINYL)-2-(3-METHOXY-PHENYL)ACETIC ACID
tert-butyl (3R)-3-{[(benzyloxy)carbonyl]amino}-4-(hydroxyMethyl)
BENZYL (3R,4R)-3-(TERT-BUTOXYCARBONYLAMINO)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE
3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-allofuranose
BENZYL (3R,4R)-4-(TERT-BUTOXYCARBONYLAMINO)-3-HYDROXYPIPERIDINE-1-CARBOXYLATE
2-(2-methoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
4,4,5,5-tetramethyl-2-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-1,3,2-dioxaborolane
9-Amino-N-(2-(4-morpholinyl)ethyl)-4-acridinecarboxamide
(S)-1-[3-(Cyclopropyl-Methyl-aMino)-propyl]-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile
1,8-Diazaspiro[5.5]undecane-8-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
1,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester
benzyl (3R,4R)-3-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
4-(2-TERT-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONYLAMINO)-BUTYRIC ACID
D-Phenothrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
3-O-Benzyl-1,2,5,6-di-O-isopropylidene-alpha-D-glucofuranose
1-O-benzyl 4-O-tert-butyl (2R)-2-(hydroxymethyl)piperazine-1,4-dicarboxylate
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants > D014528 - Uricosuric Agents D004791 - Enzyme Inhibitors
Trichothec-9-ene-3,15-diol, 12,13-epoxy-, 15-acetate, (3alpha)-
N-(3,4-dimethylphenyl)-2-(4-methylanilino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
1-[4-Carboxy-2-(3-pentylamino)phenyl]-5,5-DI(hydroxymethyl)pyrrolidin-2-one
[(1R,2R,10R)-10-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl]methyl acetate
(1R,2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(2R,5R,6R,8R,9S,10R,11S)-6-hydroxy-6-(hydroxymethyl)-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
N-(2,4-dimethoxyphenyl)-2-(1-pyrrolidinyl)-4-quinazolinamine
ethyl (41R,13aS)-13a-ethyl-2,3,41,5,6,13a-hexahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridine-12-carboxylate
2-[(5-Methyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
[(1R,2S,5R,6R,9R,10R,11S,12R)-2,6-dihydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.02,11.05,10]tetradec-7-en-12-yl] (Z)-but-2-enoate
6-[4-[2-(4-morpholinyl)ethylamino]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
1-[3-(Benzenesulfonyl)-2-(1-piperidinyl)propyl]piperidine
3,5,7-trimethyl-N-[4-morpholinyl(sulfanylidene)methyl]-1-adamantanecarboxamide
N-cyclopentyl-2-(2,3-dihydroindol-1-yl)-2-(4-methoxyphenyl)acetamide
2-methoxy-6-[4-(4-methyl-1-piperazinyl)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
2-[(6-Methyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(2S,5R,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(2R,5R,6S)-5-acetamido-6-(hydroxymethyl)oxan-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(2S,5S,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
[(3aS,4R,9bS)-4-(hydroxymethyl)-8-[(E)-prop-1-enyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-pyrazin-2-ylmethanone
2-[(2R,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(2R,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide
3-{2-[(1-Mesitylethyl)sulfanyl]-2-oxoethyl}-5-methylhexanoic acid
(9S,17R)-9-fluoro-6,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
(9S,17R)-9-fluoro-17-hydroxy-10,13,17-trimethyl-1,2,4,5,7,8,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,6,11-trione
Trichothecene analogue
A natural product found in Trichothecium speciesMSX 51320.
3,17-dihydroxy-5,9-dioxo-4,5-9,10-diseco-androsta-1(10),2-dien-4-oic acid
ABT-046
ABT-046 is a potent, selective, and orally active acyl CoA:diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of both 8 nM against human and mouse DGAT-1[1].
(1r,9r,12s)-6,9,12-trihydroxy-5-isopropyl-1,10,10-trimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6-triene-3-carboxylic acid
(1r,2s,5r,8r,9r,10r,11s,12s,13s,16s)-8,9,12-trihydroxy-2,10,16-trimethyl-6-methylidene-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadecane-3,15-dione
{6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-hexahydro-3ah-azuleno[4,5-b]furan-6-yl}methyl 2-methylpropanoate
9b-hydroxy-6,6,9a-trimethyl-1-oxo-3h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 4-hydroxybut-2-enoate
(1s,2r,6r,8s,9s,10r,12r,13r,16r)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.0²,¹¹.0⁵,¹⁰]hexadec-4-ene-3,15-dione
(2e)-4-{3-[(1e)-hept-1-en-1-yl]-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-2-methylbut-2-enoic acid
10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 3-hydroxy-2-methylpropanoate
(2s)-2-[(4r,5s)-5-[3-(acetyloxy)prop-1-en-2-yl]-4-ethenyl-4-methyl-3-oxocyclohex-1-en-1-yl]-2-hydroxypropyl acetate
(3ar,4s)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl 3-hydroxy-2-methylpropanoate
6-butoxy-9,11-dihydroxy-10-methoxy-4-methyl-1,4,5,6-tetrahydro-3-benzoxecin-2-one
(4s,4ar,5r,6s,9ar)-6,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(3s,3ar,4s,9r,11ar)-4-(acetyloxy)-3,6,10-trimethyl-2-oxo-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
(3ar,4as,5s,7s,7as,8r,9as)-5-(acetyloxy)-4a,8-dimethyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[6,5-b]furan-7-yl acetate
[(3as,5r,11ar)-5-hydroxy-6-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
8,8a-dihydroxy-3,4a,5-trimethyl-4h,5h,6h,7h,8h,9h-naphtho[2,3-b]furan-4-yl 2-(hydroxymethyl)prop-2-enoate
(1s,2s,3s,4r,8r,9r,10r,11r)-3-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatetracyclo[9.2.1.0²,¹⁰.0⁴,⁸]tetradecan-9-yl 2-methylpropanoate
{9a-hydroxy-6a-methyl-3-methylidene-2,9-dioxo-hexahydro-3ah-azuleno[4,5-b]furan-6-yl}methyl 2-methylpropanoate
13-hydroxy-13-isopropyl-3,7,12-trimethyl-10,14,16-trioxatetracyclo[7.5.1.1³,⁶.0¹²,¹⁵]hexadec-5-ene-4,11-dione
4-hydroxy-3-[(1r,6r)-6-isopropyl-3-methylcyclohex-2-en-1-yl]-6-[(1e)-2-phenylethenyl]pyran-2-one
(2r,3r,4r,5r)-3-hydroxy-5-(hydroxymethyl)-2-(4-methoxyphenyl)-1,1-dimethyl-4-[(3-methylbut-2-enoyl)oxy]pyrrolidin-1-ium
(1s,2s,5r,7s,8r,9r,10r,13r,16r,17s)-7-fluoro-9,16-dihydroxy-1,13-dimethyl-6-methylidene-11-oxapentacyclo[8.6.1.1⁵,⁸.0²,⁸.0¹³,¹⁷]octadecan-12-one
10-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}decanoic acid
[5-hydroxy-6-(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-10-yl]methyl 2-methylpropanoate
13-hydroxy-12-methyl-11-oxo-10,14-dioxapentacyclo[11.2.2.1¹,⁹.0²,⁷.0¹²,¹⁸]octadecan-6-yl acetate
(4s,6r)-6-butoxy-9,11-dihydroxy-10-methoxy-4-methyl-1,4,5,6-tetrahydro-3-benzoxecin-2-one
6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-3ah,4h,5h,10h,11h,11ah-cyclodeca[b]furan-4-yl 2-methylpropanoate
(1'r,2s,2's,4's,8'r,9'r)-9'-(acetyloxy)-3',3'-dimethyl-10'-oxaspiro[oxirane-2,7'-tricyclo[6.4.0.0²,⁴]dodecan]-11'-en-12'-ylmethyl acetate
2-[(2,6-dihydroxy-2,6-dimethyloct-7-en-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-[3-(hept-1-en-1-yl)-5-hydroxy-4-(hydroxymethyl)-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-2-methylbut-2-enoic acid
(3ar,4r,6r,6ar,9ar,9br)-6-hydroperoxy-6,9-dimethyl-3-methylidene-4-(2-methylpropoxy)-3ah,4h,5h,6ah,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
methyl 2-[(3,7-dimethylocta-2,6-dien-1-yl)oxy]-4,6-dihydroxy-3-(hydroxymethyl)benzoate
2-[(4,7-dihydroxy-3,7-dimethyloct-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(3ar,4s,6r,11as)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3ah,4h,5h,6h,7h,8h,9h,11ah-cyclodeca[b]furan-4-yl 2-methylprop-2-enoate
[9-(acetyloxy)-6-methyl-3-methylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9a-yl]methyl acetate
2-[(4r,5s,8r,8ar)-4-(acetyloxy)-3-(hydroxymethyl)-8-methyl-2-oxo-4,5,6,7,8,8a-hexahydro-1h-azulen-5-yl]prop-2-en-1-yl acetate
4-(acetyloxy)-7,7a-dimethyl-4'-methylidene-2'-oxo-hexahydro-1h-spiro[indene-2,3'-oxolan]-3-yl acetate
4-[(3ar,7s,8ar)-7-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-6-yl]-4-(acetyloxy)butan-2-yl acetate
(1's,2s,2'r,4's,7'r,9'r,10'r,11's)-4',10'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl (2z)-but-2-enoate
(1s,2z,4r,8r,9r,11r)-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradec-2-en-9-yl 2-methylpropanoate
(3as,4s,7ar)-6-(hydroxymethyl)-5-[(2s)-5-hydroxypentan-2-yl]-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl 2-methylprop-2-enoate
1-{3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl}ethanone
1,2- benzenedicarboxylic acid,mono(1,2- ethylhexyl)ester
{"Ingredient_id": "HBIN000732","Ingredient_name": "1,2- benzenedicarboxylic acid,mono(1,2- ethylhexyl)ester","Alias": "NA","Ingredient_formula": "C19H30O4Si","Ingredient_Smile": "CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O[Si](C)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41576","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,2r,4r,8r)-p-menth-2,8,9-triol 2-o-β-d-glu-copyranoside
{"Ingredient_id": "HBIN003047","Ingredient_name": "(1r,2r,4r,8r)-p-menth-2,8,9-triol 2-o-\u03b2-d-glu-copyranoside","Alias": "NA","Ingredient_formula": "C16H30O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13771","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2r,4r,8s)-p-menthane-2,8,9-triol 2-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN003206","Ingredient_name": "(1s,2r,4r,8s)-p-menthane-2,8,9-triol 2-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O8","Ingredient_Smile": "CC1CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13734","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,2s,4r)-p-menth-1,2,8-triol 2-o-β-d-gluco-pyranoside
{"Ingredient_id": "HBIN003231","Ingredient_name": "(1s,2s,4r)-p-menth-1,2,8-triol 2-o-\u03b2-d-gluco-pyranoside","Alias": "NA","Ingredient_formula": "C16H30O8","Ingredient_Smile": "CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(C)(C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13770","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN009685","Ingredient_name": "(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O8","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5812","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,6s)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-β-d-glucopyranoside
{"Ingredient_id": "HBIN009691","Ingredient_name": "(3s,6s)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C16H30O8","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5813","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-dehydroxylongilactone
{"Ingredient_id": "HBIN012304","Ingredient_name": "6-dehydroxylongilactone","Alias": "NA","Ingredient_formula": "C19H26O6","Ingredient_Smile": "CC1C(C(C2C3(C(CC4C2(C1C(=O)O4)C)C(=CC(=O)C3O)C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4985","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}