Exact Mass: 350.1325
Exact Mass Matches: 350.1325
Found 500 metabolites which its exact mass value is equals to given mass value 350.1325
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Estrone 3-sulfate
Estrone sulfate is a sulfated estrone derivative. Estrone sulfate acts as a long-lived reservoir that can be converted as needed to the more active estradiol (from estrone via 17 beta-hydroxysteroid dehydrogenase). Estrone Sulfate (E1S) is the most abundant circulating estrogen in non-pregnant women as well as normal men. Estrone is primarily synthesized from estrone sulfate. Estrone is an estrogenic hormone secreted by the ovaries and adipose tissues. Estrone is one of the three estrogens found in humans. The other two are estriol and estradiol. Estrone is the least prevalent of the three. Estradiol plays a critical role on reproductive and sexual functioning in women and it also affects other organs including the bones. Estriol is an estrogen that is prevalent primarily during pregnancy. [HMDB] Estrone sulfate is a sulfated estrone derivative. Estrone sulfate acts as a long-lived reservoir that can be converted as needed to the more active estradiol (from estrone via 17 beta-hydroxysteroid dehydrogenase). Estrone Sulfate (E1S) is the most abundant circulating estrogen in non-pregnant women as well as normal men. Estrone is primarily synthesized from estrone sulfate. Estrone is an estrogenic hormone secreted by the ovaries and adipose tissues. Estrone is one of the three estrogens found in humans. The other two are estriol and estradiol. Estrone is the least prevalent of the three. Estradiol plays a critical role on reproductive and sexual functioning in women and it also affects other organs including the bones. Estriol is an estrogen that is prevalent primarily during pregnancy. C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Prodiamine
CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5592; ORIGINAL_PRECURSOR_SCAN_NO 5591 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5630; ORIGINAL_PRECURSOR_SCAN_NO 5629 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5608; ORIGINAL_PRECURSOR_SCAN_NO 5607 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5607; ORIGINAL_PRECURSOR_SCAN_NO 5606 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5619; ORIGINAL_PRECURSOR_SCAN_NO 5616 CONFIDENCE standard compound; INTERNAL_ID 498; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5615; ORIGINAL_PRECURSOR_SCAN_NO 5612
Safranin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D004396 - Coloring Agents
Chloromarmin
Chloromarmin is found in fruits. Chloromarmin is a constituent of Aegle marmelos (bael fruit). Constituent of Aegle marmelos (bael fruit). Chloromarmin is found in fruits.
Moschamindole
Isolated from safflower meal (Carthamus tinctorius). Moschamindole is found in safflower, fats and oils, and herbs and spices. Moschamindole is found in fats and oils. Moschamindole is isolated from safflower meal (Carthamus tinctorius).
Eremopetasin sulfoxide
Eremopetasin sulfoxide is found in green vegetables. Eremopetasin sulfoxide is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasin sulfoxide is found in green vegetables.
4'-O-Methylkanzonol W
4-O-Methylkanzonol W is found in herbs and spices. 4-O-Methylkanzonol W is a constituent of Glycyrrhiza glabra (licorice)
Na-p-Hydroxycoumaroyltryptophan
Na-p-Hydroxycoumaroyltryptophan is found in coffee and coffee products. Na-p-Hydroxycoumaroyltryptophan is a constituent of green coffee beans (Coffea canephora var. robusta) (Rubiaceae). Constituent of green coffee beans (Coffea canephora variety robusta) (Rubiaceae). Na-p-Hydroxycoumaroyltryptophan is found in coffee and coffee products.
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
Sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
Benzylpenicilloyl
Sibopirdine
(E)-2-Methoxy-6,6-dimethylchromeno-[2,3:4,3]-9-methoxychalcone
leiocarpin
Corydamine
Corydamine is a natural product found in Hypecoum erectum, Fumaria officinalis, and other organisms with data available.
Neorautenane
Semiglabrinol
Pseudosemiglabrinol
4-O-methylalpinumisoflavone
6-Hydroxy-3-methylthio-3-<4-(3-methyl-2-butenoxy)phenylmethyl>-2,5-piperazinedione|6-Hydroxy-3-methylthio-3-[4-(3-methyl-2-butenoxy)phenylmethyl]-2,5-piperazinedione|6-Hydroxy-3-[4-(3-methyl-2-butenylloxy)-phenylmethyl]-3-(methylthio)-2,5-piperazinedione
3,4-dimethoxy-3,4-methylenedioxy-9-oxo-Delta7,8,7,8-6.7,8.8-neolignan
1,5,6-TRI-O-ACETYL-2,3,4-TRI-O-METHYLHEXITOL (1-D)
4-O-methylatalantoflavone|5-hydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-pyrano[2,3-f]chromen-4-one
6-(3,4-Dimethoxy-phenyl)-5-hydroxy-5,6-dihydro-3H-benzo[c][2,7]naphthyridin-4-on|6-(3,4-dimethoxy-phenyl)-5-hydroxy-5,6-dihydro-3H-benzo[c][2,7]naphthyridin-4-one|Perlolin|perloline
(2R,4S,5R,8S,10R)-2-{[(Z)-3-(methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide|(8S)-2-{[(Z)-3-(methylsulfanyl)prop-2-enoyl]oxy}eremophil-7(11)-en-12,8-olide
2H-pyran-[2,3:5,6]-1,6,7-trihydroxy-9-10-dihydrophenanthrene|paralycolin B
GLYCYRRHIZOL B
An organic heteropentacyclic compound that is 2H-pyrano[3,4,5,6]-pterocarpene substituted by a hydroxy group at position 7, a methoxy group at position 5 and geminal methyl groups at position 2. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity.
Lespeflorin H2
A member of the class of coumestans that is 9,10-dihydro-6H-[1]benzofuro[3,2-c]chromene substituted by a methoxy group at position 3, a hydroxy group at position 8 and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 9 and 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
2-(4-Hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-1,3-propanediol
3,4-Methylenedioxy-7-hydroxy-6-isopentenyl flavone
3-methoxy-1,4,9-trihydroxy-1,2,3,6b-tetrahydrobenzo[j]fluoranthen-8(7H)-one|hypoxylonol B
1S,2R,3R,4S-1-ethoxy-2-[(benzoyloxy)methyl]cyclohex-5-ene-2,3,4-triol 3-acetate
erythro-1-(3-hydroxy-5-methoxyphenyl)-2-(4-hydroxy-3,5-dimethoxyphenyl)-1,3-propanediol|sapnol A
3,3-dihydroxy-2-(p-hydroxybenzyl)-5-methoxybibenzyl
3,3-dihydroxy-4-(p-hydroxybenzyl)-5-methoxybibenzyl
(2S)-5,7-dimethoxy-8-(3-methylbut-1,3-dienyl)flavanone|tephroleocarpin B 5-methyl ether
3,5-dihydroxy-2-(p-hydroxybenzyl)-3-methoxybibenzyl
2-hydroxy-6,6-dimethylpyrano-[2,3:4,3]-3,4-methylenedioxychalcone|2-hydroxy-6,6-dimethylpyrano[2,3:4,3]-3,4-methylenedioxychalcone|3,4-methylenedioxy-2-hydroxy-6,6-dimethylchromeno-[2,3:4,3]-chalcone|Glabrachromen-II|Glabrachromene II
(-)1,6 desoxypipoxide|(-)1,6-Desoxypipoxide|(2R)-trans-3-(benzoyloxy)-1-<(benzoyloxy)methyl>-2-hydroxycyclohexa-4,6-diene|1,6-desoxypipoxide|deoxypipoxide
2-O-beta-D-glucopyranosyl eucommiol|eucommioside|Eucommioside I|EucommiosideI
2,2,9-Trimethyl-5-methoxy-11-hydroxy-2H-anthra[1,2-b]pyran-7,12-dione
Coumarin VI
Coumarin 6 is a member of 7-aminocoumarins. It has a role as a fluorochrome. Coumarin 6 is a natural product found in Ferula fukanensis with data available.
Millepachine
Millepachine is a bioactive natural chalcone from Chinese herbal medicine Millettia pachycarpa Benth, exhibits strong antitumor effects against numerous human cancer cells both in vitro and in vivo[1].
Isoarundinin II
Isoarundinin II is a natural product found in Pleione bulbocodioides, Pleione yunnanensis, and other organisms with data available.
Ranitidine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Ranitidine hydrochloride is a potent, selective and orally active histamine H2-receptor antagonist with an IC50 of 3.3 μM that inhibits gastric secretion. Ranitidine hydrochloride is a weak inhibitor of CYP2C19 and CYP2C9[1][2].
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based: Match]
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one [IIN-based on: CCMSLIB00000846396]
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based on: CCMSLIB00000845870]
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid [IIN-based: Match]
9,9-Bis(4-hydroxyphenyl)fluorene
CONFIDENCE standard compound; INTERNAL_ID 619; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5172; ORIGINAL_PRECURSOR_SCAN_NO 5167 CONFIDENCE standard compound; INTERNAL_ID 619; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5139; ORIGINAL_PRECURSOR_SCAN_NO 5136
2-(4-(tert-Butyl)phenoxy)cyclohexyl prop-2-yn-1-yl sulfite
Ala Ala Cys Ser
Ala Ala Ser Cys
Ala Cys Ala Ser
Ala Cys Gly Thr
Ala Cys Ser Ala
Ala Cys Thr Gly
Ala Gly Cys Thr
Ala Gly Thr Cys
Ala Ser Ala Cys
Ala Ser Cys Ala
Ala Ser Ser Ser
Ala Thr Cys Gly
Ala Thr Gly Cys
Cys Ala Ala Ser
Cys Ala Gly Thr
Cys Ala Ser Ala
Cys Ala Thr Gly
Cys Gly Ala Thr
Cys Gly Thr Ala
Cys Ser Ala Ala
Cys Thr Ala Gly
Cys Thr Gly Ala
Gly Ala Cys Thr
Gly Ala Thr Cys
Gly Cys Ala Thr
Gly Cys Thr Ala
Gly Gly Met Ser
Gly Gly Ser Met
Gly Met Gly Ser
Gly Met Ser Gly
Gly Ser Gly Met
Gly Ser Met Gly
Gly Ser Ser Thr
Gly Ser Thr Ser
Gly Thr Ala Cys
Gly Thr Cys Ala
Gly Thr Ser Ser
Met Gly Gly Ser
Met Gly Ser Gly
Met Ser Gly Gly
Ser Ala Ala Cys
Ser Ala Cys Ala
Ser Ala Ser Ser
Ser Cys Ala Ala
Ser Gly Gly Met
Ser Gly Met Gly
Ser Gly Ser Thr
Ser Gly Thr Ser
Ser Met Gly Gly
Ser Ser Ala Ser
Ser Ser Gly Thr
Ser Ser Ser Ala
Ser Ser Thr Gly
Ser Thr Gly Ser
Ser Thr Ser Gly
Thr Ala Cys Gly
Thr Ala Gly Cys
Thr Cys Ala Gly
Thr Cys Gly Ala
Thr Gly Ala Cys
Thr Gly Cys Ala
Thr Gly Ser Ser
Thr Ser Gly Ser
Thr Ser Ser Gly
Eremopetasin sulfoxide
4'-O-Methylkanzonol W
Moschamindole
Na-p-Hydroxycoumaroyltryptophan
estrone sulfate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
4-chloro-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline
3,6-dimethyl-1-N,4-N-diphenyl-1,2,4,5-tetrazine-1,4-dicarboxamide
(R,R)-(+)-BIS(ALPHA-METHYLBENZYL)AMINEHYDROCHLORIDE
4-(2-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
bis-(Acetylactonate) ethoxide isopropoxide titanium
(1S,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
3-(2-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(3-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TERT-BUTYL [2-PHTHALIMIDO-1-(METHYLSULFANYLMETHYL)ETHYL]CARBAMATE
4-DIMETHYLAMINO-7-(4-ETHYL-PHENYL)-7H-9-THIA-1,5,7-TRIAZA-FLUOREN-8-ONE
(1R,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
ETHYL 4-(4-METHOXYPHENYL)-2-OXO-6-PHENYL-3-CYCLOHEXENE-1-CARBOXYLATE
(E)-6-Nitro-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
N-methyl-3-(2,3,4,5,6-pentadeuteriophenyl)-3-[4-(trifluoromethyl)phenoxy]propan-1-amine,hydrochloride
Clomipramine HCl
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D049990 - Membrane Transport Modulators
ethoxybis(pentane-2,4-dionato-O,O)(propan-2-olato)titanium
4-(6-ACETYL-1,3,7-TRIMETHYL-2,4-DIOXO-1,2,3,4,5,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-5-YL)BENZONITRILE
(1R,2S,3R)-(+)-3-[N-(BENZENESULFONYL)-N-(3,5-DIMETHYL-PHENYL)AMINO]-2-BORNANOL
4-(4-CYANO-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-METHOXY-N-(4-METHOXYPHENYL)-N-(4-NITROPHENYL)ANILINE
(3aR,4R,5R,6aS)-4-Formyl-2-oxohexahydro-2H-cyclopenta[b]furan-5-y l 4-biphenylcarboxylate
dimethyl 2,6-dimethyl-4-(2,3,4,5-tetradeuterio-6-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
N-(2,4-dimethylphenyl)-2,2,2-trifluoro-N-[(E)-(3-methoxyphenyl)methylideneamino]acetamide
Raxatrigine hydrochloride
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
2-(4-nitrophenyl)-N-(2-oxolanylmethyl)-4-quinazolinamine
N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
4-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-3-quinolinecarboxylic acid ethyl ester
N-[5-(1-naphthylmethyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
4-Methyl-5-{[(3-methylbenzoyl)oxy]ethanimidoyl}-2-phenyl-1,3-thiazole
2-(2-Hydroxyphenyl)-4-phenyl-5,6-dihydrobenzo[h]quinazoline
Bis(trimethylsilyl) 2-[(trimethylsilyl)oxy]succinate
Rel-(3AR,4S,7R,7AS)-3A,4,7,7A-tetrahydro-2-(4-nitro-1-naphthalenyl)-4,7-ethano-1H-isoindole-1,3(2H)-dione
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-
(2S,4S,5R,6R)-5-acetamido-4-acetyloxy-2-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylate
(2S,5R)-5-acetamido-6-[(1S)-3-acetyloxy-1,2-dihydroxypropyl]-2,4-dihydroxyoxane-2-carboxylate
2-Oxo-3-(phosphooxy)propyl 8-methyl-3-oxodecanoate
5,5-Dimethyl-2-[2-oxo-1-[(2-phenylacetyl)amino]propyl]-1,3-thiazolidine-4-carboxylic acid
[3-Carboxy-2-[5-(dithiolan-3-yl)pentanoyloxy]propyl]-trimethylazanium
Alquen
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
benzoic acid 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g][1]benzopyran-2-yl]propan-2-yl ester
Brasiliquinone C
A carbopolycyclic compound that is 3,4-dihydrotetraphene-1,7,12(2H)-trione substituted by hydroxy groups at positions 6 and 8 and an ethyl group at position 3 (the S stereoisomer). It is isolated from the culture broth of Nocardia brasiliensis and exhibits antibacterial activity against Gram-positive bacteria. It is also active against the multiple drug-resistant P388/ADR tumour cells.
Ehretianone
An organic heterotetracyclic compound that is 9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione substituted by a hydroxy group at position 7, a methyl group at position 12 and a prenyl group at position 9a. Isolated from the root barks of Ehretia buxifolia, it exhibits antisnake venom activity.
Sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
N-{amino[(6-methoxy-4-methyl-2-quinazolinyl)amino]methylene}-N-phenylurea
1-(4-Fluorophenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
3-(1H-indol-3-yl)-N-[(1E)-1-(3-nitrophenyl)ethylidene]propanohydrazide
6-(3,5-dimethyl-4-isoxazolyl)-N-[(3-methyl-2-thiophenyl)methyl]-4-quinazolinamine
[1-(2-Phenoxyethyl)-3-indolyl]-(1-pyrrolidinyl)methanethione
1-(4-Fluorophenyl)-3-(2-methoxy-3-dibenzofuranyl)urea
5-Benzyl-2,2-dimethyl-5-(4-vinylbenzyl)-1,3-dioxane-4,6-dione
2-[[oxo-(2-oxo-1H-quinolin-4-yl)methyl]amino]-3-phenylpropanoic acid methyl ester
7-Amino-9-(phenacylthio)-8-azaspiro[4.5]deca-6,9-diene-6,10-dicarbonitrile
3-(2,3-dimethyl-1H-indol-5-yl)-4-(3-methoxyphenyl)-1H-1,2,4-triazole-5-thione
3-[5-(4-Fluorophenyl)-7-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-propanol
methyl 2-{5-[(1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-dioxo-1,3-thiazolidin-3-yl}propanoate
(5E)-6-hydroxy-3-phenyl-5-[1-(2-phenylhydrazinyl)propylidene]pyrimidine-2,4(3H,5H)-dione
Nonanedioic acid monoglycoside
A dicarboxylic acid monoester resulting from the formal condensation of the carboxy group of nonanedioic acid with the hydroxy group of hexopyranose.
2-cyclopropyl-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
2-cyclopropyl-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
2-cyclopropyl-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
2-cyclopropyl-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
2-cyclopropyl-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
2-cyclopropyl-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide
7-(5,7-Dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid
2-(1,3-benzodioxol-5-ylamino)-N-[(E)-(2-methyl-1H-indol-3-yl)methylidene]acetohydrazide (non-preferred name)
9-deoxy-9-acetamido-N-acetyl-alpha-neuraminic acid
(1R,2S,4aR,4bR,7R,9aR,10S,10aR)-2-chloro-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
sulfuric acid [(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester
N-[4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenyl]acetamide
3,8,9-trimethoxy-5-methyl-5H-benzo[c]phenanthridin-5-ium-2-one
D000970 - Antineoplastic Agents
(2,6-Diacetyloxy-6-deuterio-3,4,5-trimethoxyhexyl) acetate
5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-7,8-dihydroxy-7-methyl-8H-isochromen-6-one
2-Methyl-4-oxo-8-[1-imidazolyl(thiocarbonyl)oxy]decahydronaphthalene-1-carboxylic acid methyl ester
(2,5-Diacetyloxy-1-deuterio-3,4,6-trimethoxyhexyl) acetate
5-LOX-IN-1
5-LOX-IN-1 (compound 2b) is an inhibitor of human 5-Lipoxygenase (5-LOX) with an IC50 value of 2.3 μM. 5-LOX-IN-1 can be used for the research of inflammation[1].
DREADD agonist 21 (dihydrochloride)
DREADD agonist 21 dihydrochloride is a potent human muscarinic acetylcholine M3 receptors (hM3Dq) agonist (EC50=1.7 nM)[1].
(1r,8r,9s,11s,12r)-3,6-dihydroxy-16-methyl-11-(prop-1-en-2-yl)pentacyclo[6.6.3.1⁹,¹².0¹,⁹.0²,⁷]octadeca-2,4,6,16-tetraene-14,18-dione
6-[2-(2-isopropyl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]-4-methoxy-3-methylhex-5-en-2-one
3-[2-(3-hydroxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methyl]-5-methoxyphenol
7-[(7-chloro-6-hydroxy-3,7-dimethyloct-2-en-1-yl)oxy]chromen-2-one
5,14-dihydroxy-15-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-1(10),2,4,6,11,13,15-heptaene-4-carbaldehyde
5,5,13-trimethyl-4-(3-oxobutanoyl)-4,13-diazatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-1,6,8,10,12(15)-pentaene-3,14-dione
2-{2-[4,5-bis(hydroxymethyl)-6-oxabicyclo[3.1.0]hexan-1-yl]ethoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(6s)-2,2-dimethyl-6-(prop-1-en-2-yl)-6,7-dihydro-1-oxatetraphene-5,8,9-triol
(1r,2s)-1-(acetyloxy)-1-(7-methoxy-2h-1,3-benzodioxol-5-yl)propan-2-yl (2z)-2-methylbut-2-enoate
(3r)-3,4-dimethoxy-6'-methyl-3h-3'-oxaspiro[2-benzofuran-1,2'-tricyclo[6.3.1.0⁴,¹²]dodecane]-1'(12'),4',6',8',10'-pentaen-11'-ol
methyl 2-[(2r,4r,6r)-2-(7-methoxy-6-methyl-1-oxo-3h-2-benzofuran-4-yl)-6-methyl-1,3-dioxan-4-yl]acetate
[(1r,2s,5s,6r)-6-(acetyloxy)-2-ethoxy-1,5-dihydroxycyclohex-3-en-1-yl]methyl benzoate
(3s,4s)-3-(4-hydroxy-3-methoxyphenyl)-2-oxa-6,11-diazatetracyclo[7.5.2.0⁴,¹⁵.0¹²,¹⁶]hexadeca-1(14),5,9,12,15-pentaen-5-ol
3-ethyl-6-hydroxy-8-methoxy-3,4-dihydro-2h-tetraphene-1,7,12-trione
5,10-dihydroxy-12-isopropyl-1,6-dimethyl-3,8,13-trioxapentacyclo[7.6.1.0²,⁴.0⁶,¹⁶.0¹¹,¹⁵]hexadec-11(15)-ene-7,14-dione
7-methoxy-8-[(1e)-3-methoxy-3-methylbut-1-en-1-yl]-2-phenylchromen-4-one
(2r,3r,4s,5s,6r)-2-{[(1r,2r)-2-(2-hydroxyethyl)-3,4-bis(hydroxymethyl)cyclopent-3-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
1,6-bis(acetyloxy)-3,4,5-trimethoxyhexan-2-yl acetate
[7-(2h-1,3-benzodioxol-5-yl)tetracyclo[8.2.1.0³,¹².0⁶,¹¹]trideca-4,8-dien-2-yl]acetic acid
(1r,6s,13r)-6-(prop-1-en-2-yl)-7,11,17,19,23-pentaoxahexacyclo[11.10.0.0²,¹⁰.0⁴,⁸.0¹⁴,²².0¹⁶,²⁰]tricosa-2(10),3,8,14,16(20),21-hexaene
3,8,10-trihydroxy-6-methoxy-3-methyl-9-oxo-1,2,4,4a,9a,10-hexahydroanthracen-2-yl acetate
3',4',7-trihydroxy-6-prenylflavone; 3',4'-methylene ether
{"Ingredient_id": "HBIN007317","Ingredient_name": "3',4',7-trihydroxy-6-prenylflavone; 3',4'-methylene ether","Alias": "NA","Ingredient_formula": "C21H18O5","Ingredient_Smile": "NA","Ingredient_weight": "350.36","OB_score": "NA","CAS_id": "126622-44-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8303","PubChem_id": "NA","DrugBank_id": "NA"}
4-[[4-[[4-(methoxymethyl)phenoxy]methyl]phenoxy]methyl]phenol
{"Ingredient_id": "HBIN009916","Ingredient_name": "4-[[4-[[4-(methoxymethyl)phenoxy]methyl]phenoxy]methyl]phenol","Alias": "NA","Ingredient_formula": "C22H22O4","Ingredient_Smile": "NA","Ingredient_weight": "350.41","OB_score": "NA","CAS_id": "210969-95-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7870","PubChem_id": "NA","DrugBank_id": "NA"}