Exact Mass: 318.1611
Exact Mass Matches: 318.1611
Found 500 metabolites which its exact mass value is equals to given mass value 318.1611,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fluvoxamine
Fluvoxamine is an antidepressant which functions pharmacologically as a selective serotonin reuptake inhibitor. Though it is in the same class as other SSRI drugs, it is most often used to treat obsessive-compulsive disorder. Fluvoxamine has been in use in clinical practice since 1983 and has a clinical trial database comprised of approximately 35,000 patients. It was launched in the US in December 1994 and in Japan in June 1999. As of the end of 1995, more than 10 million patients worldwide have been treated with fluvoxamine. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent CONFIDENCE standard compound; INTERNAL_ID 8519 D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(S,E)-Zearalenone
CONFIDENCE standard compound; INTERNAL_ID 211; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4903; ORIGINAL_PRECURSOR_SCAN_NO 4902 CONFIDENCE standard compound; INTERNAL_ID 211; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4907; ORIGINAL_PRECURSOR_SCAN_NO 4903 CONFIDENCE standard compound; INTERNAL_ID 211; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4915; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 211; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4892; ORIGINAL_PRECURSOR_SCAN_NO 4888 CONFIDENCE standard compound; INTERNAL_ID 211; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4889; ORIGINAL_PRECURSOR_SCAN_NO 4888 CONFIDENCE standard compound; INTERNAL_ID 211; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4992; ORIGINAL_PRECURSOR_SCAN_NO 4988 Fungal metabolite of Fusarium subspecies and of Gibberella zeae. Potential food mycotoxin. Has weak estrogenic activity and causes physiol. changes when ingested by animals as foodstuffs contaminant. (S,E)-Zearalenone is found in corn. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Acquisition and generation of the data is financially supported in part by CREST/JST. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2248 cis-Zearalenone is a metabolite of Fusarium species. Zearalenone is a mycotoxin produced mainly by fungi belonging to the genus Fusarium in foods and feeds. Possess oestrogenic activity in pigs, cattle and sheep, with low acute toxicity. Causes precocious development of mammae and other estrogenic effects in young gilts[1][2]. Zearalenone is a mycotoxin produced mainly by fungi belonging to the genus Fusarium in foods and feeds. Possess oestrogenic activity in pigs, cattle and sheep, with low acute toxicity. Causes precocious development of mammae and other estrogenic effects in young gilts[1][2].
Eseramine
Coenzyme Q2
A compound composed of the 2,3-dimethoxy-5-methylbenzoquinone nucleus common to ubiquinones; and a side chain of two isoprenoid units. D020011 - Protective Agents > D000931 - Antidotes CONFIDENCE standard compound; INTERNAL_ID 148
Ubiquinone-2
Ubiquinone-2 is a member of the chemical class known as Polyprenylbenzoquinones. These are compounds containing a polyisoprene chain attached to a quinone at the second ring position. Ubiquione-2 has just 2 isoprene units. Normally in humans it has 10. Ubiquinone-2 is an intermediate in the synthesis of Ubiquionone 10. Ubiquionone is involved in cellular respiration. It is fat-soluble and is therefore mobile in cellular membranes; it plays a unique role in the electron transport chain (ETC). In the inner bacterial membrane, electrons from NADH and succinate pass through the ETC to the oxygen, which is then reduced to water. The transfer of electrons through ETC results in the pumping of H+ across the membrane creating a proton gradient across the membrane, which is used by ATP synthase (located on the membrane) to generate ATP. Coenzyme Q functions as an electron carrier and reversibly changes to either an oxidized (CoQ), intermediate (CoQ), or reduced (CoQH2) form within a biomembrane. The Coenzyme Q2 (CoQH2) form also acts as an antioxidant and prevents cell death, and thus has been successfully used as a supplement. On the other hand, the value of the CoQ/CoQH2 ratio has been shown to increase in a number of diseases, presumably due to an anti-proliferative effect involving CoQ. Induction of apoptosis by CoQ2 is dependent on p53 protein levels. Moreover, CoQ2 induces reactive oxygen species (ROS) and the phosphorylation of p53. An antioxidant, l-ascorbic acid, inhibited CoQ2-induced p53 phosphorylation and further apoptotic stimuli. (PMID: 15905035) [HMDB] D020011 - Protective Agents > D000931 - Antidotes
Methylscopolamine
Methylscopolamine is only found in individuals that have used or taken this drug. It is a muscarinic antagonist used to study binding characteristics of muscarinic cholinergic receptors. [PubChem]Methscopolamine acts by interfering with the transmission of nerve impulses by acetylcholine in the parasympathetic nervous system (specifically the vomiting center). It does so by acting as a muscarinic antagonist.
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices. (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). (1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide is found in herbs and spices.
[8]-Dehydrogingerdione
[8]-Dehydrogingerdione is found in herbs and spices. [8]-Dehydrogingerdione is from Zingiber officinale (ginger). From Zingiber officinale (ginger). [8]-Dehydrogingerdione is found in herbs and spices.
Panaquinquecol 6
Panaquinquecol 6 is found in tea. Panaquinquecol 6 is a constituent of Panax quinquefolium (American ginseng) Constituent of Panax quinquefolium (American ginseng). Panaquinquecol 6 is found in tea.
Cohulupone
Cohulupone is found in alcoholic beverages. Cohulupone is a constituent of hops Constituent of hops. Cohulupone is found in alcoholic beverages.
2-Hydroxyenterodiol
2-Hydroxyenterodiol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxyenterodiol
4-Hydroxyenterodiol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
6-Hydroxyenterodiol
6-Hydroxyenterodiol is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
2-Methoxyestriol
[(3-Hexyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetic acid
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
Imidazolone A
(11S)-11-Methyl-15,17-bis(oxidanyl)-12-oxabicyclo[12.4.0]octadeca-1(18),2,14,16-tetraene-7,13-dione
1-Dehydro-[8]-gingerdione
1-dehydro-[8]-gingerdione belongs to hydroxycinnamic acids and derivatives class of compounds. Those are compounds containing an cinnamic acid (or a derivative thereof) where the benzene ring is hydroxylated. 1-dehydro-[8]-gingerdione is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-dehydro-[8]-gingerdione can be found in ginger, which makes 1-dehydro-[8]-gingerdione a potential biomarker for the consumption of this food product.
Phenol
Erianin is a natural product found in Dendrobium thyrsiflorum and Dendrobium chrysotoxum with data available. Erianin, often used as an antipyretic and analgesic agent, could inhibit IDO-induced tumor angiogenesis. Erianin, often used as an antipyretic and analgesic agent, could inhibit IDO-induced tumor angiogenesis.
10beta-Hydroxy-2beta-(2-methylacryloyloxy)furanoeremophilane
[4beta(Z)]-12,13-epoxytrichothec-9-en-4-ol 2-butenoate
Laurycolactone A
Laurycolactone A is a natural product found in Eurycoma longifolia with data available.
3-(hydroxymethyl)-6-[4-(3-methylbut-2-enyloxy)benzyl]piperazine-2,5-dione
A piperazinone that is piperazine-2,5-dione substituted by a hydroxymethyl group at position 3 and a benzyl group at position 6 which in turn is substituted by a prenyloxy group at position 4. It has been isolated from Penicillium chrysogenum.
[4R-(4alpha,4aalpha,5beta)]-4,4a,5,6,7,9-Hexahydro-5-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-4-yl ester 2-methyl-propanoic acid
Subcordatolide E
6beta-Isobutyroyloxy-10alphaH-9-oxofuranoeremophilane
Imiprothrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins CONFIDENCE standard compound; EAWAG_UCHEM_ID 2932
ethyl 2-{[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]formamido}acetate
Tiemonium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Tomelukast
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4323; ORIGINAL_PRECURSOR_SCAN_NO 4321 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4808; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4333; ORIGINAL_PRECURSOR_SCAN_NO 4329 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4786; ORIGINAL_PRECURSOR_SCAN_NO 4784 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4915; ORIGINAL_PRECURSOR_SCAN_NO 4913 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4806 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9235; ORIGINAL_PRECURSOR_SCAN_NO 9230 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9194; ORIGINAL_PRECURSOR_SCAN_NO 9192 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9299; ORIGINAL_PRECURSOR_SCAN_NO 9298 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248 INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9252; ORIGINAL_PRECURSOR_SCAN_NO 9248 CONFIDENCE standard compound; INTERNAL_ID 1153; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9308; ORIGINAL_PRECURSOR_SCAN_NO 9306
9alpha,14alpha-Dihydroxy-androst-4-en-3,17-dion|9alpha,14alpha-Dihydroxy-androsten-(4)-dion-(3,17)
2,2-dimethyl-7-methoxy-6-(1-hydroxyethyl)-chromene isovalerate|2,2-dimethyl-7-methoxy-6-<1-hydroxyethyl>-chromene isovalerate
7-E,9-Z methyl trisporate B|Delta9-cis-Trisporsaeure-B-methylester|methyl (7E,9Z)-trisporate B|methyl trisporate B|Trisporinsaeure-B-methylester
(-)-curcuhydroquinone diacetate|2-methyl-5-((R)-6-methylhept-5-en-2-yl)-1,4-phenylene diacetate
(6beta,14beta,15beta)-6,14,15-trihydro-20-nor-ent-kaur-1(10),16(17)-dien-7-one|rubescensin N
Me ether,15-ketone-(6E,9Z,11E,13E)-9-Formyl-15-hydroxy-6,9,11,13-heptadecatetraenoic acid
2-[6-acetyl-2,3-dihydro-5-hydroxybenzofuran-2-yl]prop-2-enyl 3-methylbutanoate
O-(2-Methulpropenoyl)-(1beta,6beta,10beta)-1,10-Epoxyfuranoeremophilan-6-ol|O-(2-Methylpropenoyl)-(1beta,6beta,10beta)-1,10-Epoxyfuranoeremophilan-6-ol
2-(Methylpropenoyl)-(2beta, 10beta)-Furanoeremophilane-2, 10-diol
3-(3-hydroxy-3-methyl-butyl)-5-prenyl-4-hydroxycinnamic acid
4-(methoxymethyl)-2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indole
6beta-isobutyryloxy-10alphaH-9-oxofuranoeremophilane
(E)-9-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1H-purine-2,6,8(3H,7H,9H)-trione
1-isobutyryyloxy-2-(E-3-methyloxiranyl)-4-angelyloxybenzene
(2R,4S,5R,8S,10R)-2-[(methacroyl)oxy]eremophil-7(11)-en-12,8-olide|(8S)-2-[(methacroyl)oxy]eremophil-7(11)-en-12,8-olide
3,5-dihydroxy-2-(1-oxoocta-2E,4E-dienyl)benzeneacetic acid ethyl ester|cytosporone F
(5SR,8SR,9SR,10RS,13SR)-2-hydroxy-16-nor-3-oxodolabr-1,4(18)dien-15-oic acid|ent-16-nor-5alpha,13alpha(methyl)-3-oxodolabra-1,4(18)-dien-2-ol-15-oic acid
Desacylcynaropicrin-(alpha-methacrylat)|Desacylcynaropicrin-
2-(2,5-dihydroxy-3-((E)-3,7-dimethylocta-2,6-dienyl)phenyl)acetate|denudaquinol
6-(2-Methylpropanoyl)-(6beta, 10beta)-Furanoeremophilane-6, 10-diol
(1RS,2SR,8aRS)-7-acetyl-1,2,3,4,6,8a-hexahydro-1,8a-dimethyl-6-oxonaphthalen-2-yl 3-methylbutanoate|3beta-(3-methylbutanoyloxy)-11-noreremophila-6(7),9(10)-diene-8,11-dione
3-(8S*-hydroxynona-5-E-enyl)-6,8-dihydroxyisochromen-1-one|fusariumin
Griffithane A
A dimethoxybenzene that is 2,5-dimethoxyphenol substituted by a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity.
Griffithane B
A dimethoxybenzene that is 2,6-dimethoxyphenol substituted by a 3-(4-hydroxy-3-methoxyphenyl)propyl group at position 3. It has been isolated from the stems of Combretum griffithii and has been shown to exhibit anticancer activity.
Griffithane C
A member of the class of catechols that is benzene-1,2-diol substituted by a methoxy group at position 5 and a 3-(3,4-dimethoxyphenyl)propyl group at position 4. It has been isolated from the stems of Combretum griffithii.
(R)-(+)-2-(3-hydroxy-3-phenylpropyl)-3,5,6-trimethoxyphenol|welwitschin C
(10S,15R,Z)-10,15-dihydroxyheptadeca-8,16-dien-11,13-diynyl acetate
3beta-(methacryloyloxy)-6beta-hydroxy-10betaH-furanoeremophilane
(1R,2E)-2-(6-hydroxyhexylidene)cyclopropyl-beta-D-glucopyranoside
(Z)-methyl 2-((1aS,1bR,5S,5aR,6aR)-5-acetoxy-1b-methyl-6-methylene-3-oxooctahydrocyclopropa [a]inden-4(1bH)-ylidene)propanoate|linderolide L
(4bS,7R,8aR,10R)-4b,5,6,7,8,8a,9,10-octahydro-3,7,10-trihydroxy-1,4b,8,8-tetramethyl-2-phenanthrenecarboxaldehyde|3alpha,7alpha,12-trihydroxy-16-norcassan-8,11,13-trien-13-al|noracanthopanin A
4E-9beta-methacryloxy-7alpha,10alphaH-germacra-4,11(13)-dien-12,6alpha-olide
schomburgbiphenyl|[1,1-biphenyl]-2-(3-hydroxy-3-methylbutyl)-3-methoxy-4,4,5-triol
Erianin
Erianin is a natural product found in Dendrobium thyrsiflorum and Dendrobium chrysotoxum with data available. Erianin, often used as an antipyretic and analgesic agent, could inhibit IDO-induced tumor angiogenesis. Erianin, often used as an antipyretic and analgesic agent, could inhibit IDO-induced tumor angiogenesis.
1beta,14-dihydroxy-13-methoxy-8,11,13-podocarpatriene-2,7-dione|1??,14-Dihydroxy-13-methoxy-8,11,13-podocarpatriene-2,7-dione
(R)-3,4-dihydroxy-5,4,alpha-trimethoxybibenzyl|dendrocandin A
2-Methyl-2-(4-methyl-3-pentenyl)-5,7-dihydroxy-2H-1-benzopyran-6-carboxylic acid methyl ester
3-(1,1-Dimethylallyl)-6-dimethoxymethyl-7-methoxy-cumarin|6-dimethoxymethyl-3-(1,1-dimethyl-allyl)-7-methoxy-chromen-2-one
atractyligenone (2-oxo-15alpha-hydroxyatractyl-16,17-ene-4alpha-carboxylic acid)
2,2,6-Trimethyl-4-(acetoxymethyl)-5-[2-(acetoxy)ethyl]indan
9alpha,12alpha-Dihydroxy-androsten-(4)-dion-(3,17)
6beta-propionyloxy-12alpha-methoxy-8,12-epoxyeremophila-1(10),7(11),8-triene
(-)-(4S,5S,10R)-10,12,18-trihydroxy-7-oxo-20-norabieta-8,11,13-triene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
6beta,11beta-dihydroxy-4-androstene-3,17-dione|6beta,11beta-Dihydroxy-androst-4-en-3,17-dion|6beta,11beta-dihydroxy-androst-4-ene-3,17-dione|6beta,11beta-Dihydroxy-androsten-(4)-dion-(3,17)|6beta,16beta-Dihydroxy-androst-4-en-3,17-dion
4-Me ether,Me ester-4-hydroxy-3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)benzoic acid|methyl 3-(6-hydroxy-3,7-dimethyl-2,7-octadienyl)-4-methoxy-benzoate
1-angelyloxy-2-(E-3-methyloxiranyl)-4-isobutyryloxybenzene
4beta,7beta-Dihydroxy-18-norkaurenolid|ent-4alpha,6beta,7alpha-Trihydroxy-18-norkaur-16-en-19-carbonsaeure-19,6-lacton
(1aR,4S,4aS,5S,9aS)-2,3,4,4a,5,9-hexahydro-4,4a,6-trimethyl-9-oxo-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl propanoate|1beta,10beta-epoxy-6beta-(propanoyloxy)furanoeremophilan-9-one
2,2-dimethyl-7-methoxy-6-(1-hydroxyethyl)-chromene 2-methyl butyrate|2,2-dimethyl-7-methoxy-6-<1-hydroxyethyl>-chromene 2-methyl butyrate
10-(2-Methylbutyryloxy)-8,9-dehydrothymol-isobutyrat
Denudaquinol
Denudaquinol is a natural product found in Magnolia denudata with data available.
Zearalenone
A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE standard compound; INTERNAL_ID 5970 Origin: Microbe; Formula(Parent): C18H22O5; Bottle Name:zearalenone; PRIME Parent Name:Zearalenone; PRIME in-house No.:V0033 CONFIDENCE Reference Standard (Level 1) Zearalenone is a mycotoxin produced mainly by fungi belonging to the genus Fusarium in foods and feeds. Possess oestrogenic activity in pigs, cattle and sheep, with low acute toxicity. Causes precocious development of mammae and other estrogenic effects in young gilts[1][2]. Zearalenone is a mycotoxin produced mainly by fungi belonging to the genus Fusarium in foods and feeds. Possess oestrogenic activity in pigs, cattle and sheep, with low acute toxicity. Causes precocious development of mammae and other estrogenic effects in young gilts[1][2].
2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione
C18H22O5_1H-2-Benzoxacyclotetradecin-1,7(8H)-dione, 3,4,5,6,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (11E)
Fluvoxamine
D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065689 - Cytochrome P-450 CYP2C19 Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065609 - Cytochrome P-450 CYP1A2 Inhibitors N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AB - Selective serotonin reuptake inhibitors D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents C78272 - Agent Affecting Nervous System > C94725 - Selective Serotonin Reuptake Inhibitor D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2740
1H-2-Benzoxacyclotetradecin-1-one, 3,4,5,6,7,8,9,10-octahydro-14,16-dihydroxy-3-methyl-7-oxo-, (E)-
Ala Ala Ala Ser
Ala Ala Gly Thr
Ala Ala Ser Ala
Ala Ala Thr Gly
Ala Gly Ala Thr
Ala Gly Thr Ala
Ala Ser Ala Ala
Ala Thr Ala Gly
Ala Thr Gly Ala
Gly Ala Ala Thr
Gly Ala Thr Ala
Gly Gly Ser Val
Gly Gly Val Ser
Gly Ser Gly Val
Gly Ser Val Gly
Gly Thr Ala Ala
Gly Val Gly Ser
Gly Val Ser Gly
Ser Ala Ala Ala
Ser Gly Gly Val
Ser Gly Val Gly
Ser Val Gly Gly
Thr Ala Ala Gly
Thr Ala Gly Ala
Thr Gly Ala Ala
Val Gly Gly Ser
Val Gly Ser Gly
Val Ser Gly Gly
(1(10)E,4E,6a,9b)-9-(2-Methylpropanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
2-Hydroxyenterodiol
4-Hydroxyenterodiol
6-Hydroxyenterodiol
6-Methoxy-7-[3-(4-morpholinyl)propoxy]-4-quinolinol
1-Boc-1,2-dihydro-2-oxo-spiro[4H-3,1-benzoxazine-4,4-piperidine]
N-Carbamimidoyl-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
1-(1-phenylmethoxycarbonylpiperidin-4-yl)azetidine-3-carboxylic acid
Noopept
Omberacetam (GVS-111) is a medication promoted and prescribed in Russia and neighbouring countries as a nootropic.
1-(Triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
4-(TRANS-4-ETHYLCYCLOHEXYL)-3,4,5-TRIFLUORO-1,1-BIPHENYL
2-Methyl-2-propanyl 3-(7-hydroxypyrazolo[1,5-a]pyrimidin-5-yl)-1- piperidinecarboxylate
Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)methanone
N-[5-(TRIMETHOXYSILYL)-2-AZA-1-OXOPENTYL]CAPROLACTAM
(4-Aminophenyl)(4,5-dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)methanone hydrochloride
Gly-leu-met-NH2
Ethyl 4-hydroxy-1-isopentyl-7-methyl-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
(3R)-1-benzyl-3-methyl-4-[(2-methylpropan-2-yl)oxy]-6-(oxomethylidene)piperazine-2,5-dione
1-[6-(2,5-dioxopyrrol-1-yl)-3,5,5-trimethylhexyl]pyrrole-2,5-dione
[5-[(dimethylamino)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
tert-Butyl 4-(2-oxobenzo[d]oxazol-3(2H)-yl)piperidine-1-carboxylate
Benzene,1,1-[oxybis(methylene)]bis[3,4-dimethoxy- (9CI)
Morpholino(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanone
TERT-BUTYL 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO[4,5-B]PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE
2-Naphthalenecarboxylic acid, 4,6,7-triMethoxy-8-(1-Methylethyl)-, Methyl ester
ETHYL 4-HYDROXY-8-ISOPROPYL-6,7-DIMETHOXY-2-NAPHTHOATE
Methscopolamine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
2,5-Piperazinedione, 3-(hydroxymethyl)-6-((4-((3-methyl-2-butenyl)oxy)phenyl)methyl)-, (3S,6S)-
16,19-Dihydroxy-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Benzyl alcohol, 4-(2,4-diamino-5-pyrimidinylmethyl)-2,6-dimethoxy-alpha,alpha-dimethyl-
7-Hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-methyl-1-benzopyran-2-one
17beta-Hydroxy-4-oxa-5alpha-estr-1-en-3-one acetate
6beta-Hydroxy-D-homo-17a-oxaandrost-4-ene-3,17-dione
2,2,3-Trimethyl-3-[1-(4-methylphenyl)ethoxycarbonyl]cyclopentane-1-carboxylic acid
[4-(4-Phenylphenyl)-1-triazolyl]-(1-pyrrolidinyl)methanone
L-N(omega)-Nitroarginine-2,4-L-diaminobutyric amide
6-[N-(4-(Aminomethyl)phenyl)carbamyl]-2-naphthalenecarboxamidine
N-[amino(imino)methyl]-2-(2,5-diphenyl-1H-pyrrol-1-yl)acetamide
ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate
Nile blue
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
N-tert-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]imine
4-(4-propan-2-ylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
3-amino-N-tert-butyl-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
(4S,4aR,5S,8aR)-3,4a,5-trimethyl-9-oxo-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan-4-yl isobutyrate
A natural product found in Pittocaulon velatum.
3,4,17-Trihydroxy-9,10-seconandrost-1,3,5(10)-triene-9-one
2-(4-Methoxyphenyl)-3-propylimidazo[4,5-b]quinoxaline
N-butyl-1-hydroxy-5-nitro-4-spiro[benzimidazole-2,1-cyclohexane]imine
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)-3-pyrrolecarboxamide
(9,9-Dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) (2R)-3-hydroxy-2-phenylpropanoate
5-amino-4-(1H-benzimidazol-2-yl)-2,2-dimethyl-1-phenyl-3-pyrrolone
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(phenylmethyl)-4-pyrimidinamine
2,3-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-12,16-dione
4-(2-amino-6,7-dihydro-5H-pyrimido[5,4-c]carbazol-10-yl)-2-methylbut-3-yn-2-ol
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2-methyl-1-piperidinyl)acetamide
(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3,5-dimethoxybenzoate
(8R)-8-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxononanoic acid
9-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-oxononanoic acid
2-[1-Hydroxy-3-(4-methoxyphenyl)propyl]-3,5-dimethoxyphenol
(2Z,4Z)-2-hydroxy-4-[(3aS,5aS,9aS,9bS)-3a-methyl-3,7-dioxododecahydro-6H-cyclopenta[a]naphthalen-6-ylidene]but-2-enoic acid
[(1S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Methyl 2-((1E),(3Z)-3-methyl-7-oxoocta-1,3-dienyl)-1,3-dimethyl-4-oxocyclohex-2-enyl-1-carboxylate
2-(Ethoxycarbonyl)-3-(alpha-methylbenzyl)-5-hexenoic acid ethyl ester
(S,E)-Zearalenone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3,4,17-trihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9-one
A seco-androstane that is 9,10-secoandrostane which is substituted by hydroxy groups at position 3, 4 and 17 and an oxo group at position 9 and in which the A-ring is aromatic.
(2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid
An oxo seco-steroid that is a meta-cleavage metabolite in the estrogen degradation pathway; an unstable precursor to pyridinestrone acid.
SIRT2-IN-11
SIRT2-IN-11 (AEM1) is a selective SIRT2 inhibitor with an IC50 value of 18.5 μM. SIRT2-IN-11 p53-dependently induces apoptosis, activates expression of CDKN1A, PUMA and NOXA, and increases acetylation of p53. SIRT2-IN-11 can be used for the research of p53-related cancers[1].
7-ethenyl-4,9-dihydroxy-1-(hydroxymethyl)-4a,7-dimethyl-5,6,8,9,10,10a-hexahydro-4h-phenanthren-3-one
(2e,4e)-n-{3-hydroxy-3-[2-(c-hydroxycarbonimidoyl)ethyl]-6-oxocyclohexa-1,4-dien-1-yl}-6-methylhepta-2,4-dienimidic acid
ethyl 2-[7-hydroxy-4-oxo-2-(pent-1-en-1-yl)-2,3-dihydro-1-benzopyran-5-yl]acetate
(2e)-n-(4-{[(2e)-1-hydroxy-3-(methylsulfanyl)prop-2-en-1-ylidene]amino}butyl)-3-phenylprop-2-enimidic acid
(6ar,9s,9ar,9bs)-3,6a-dimethyl-9-[(2s)-2-methylbutanoyl]-1h,9h,9ah,9bh-furo[2,3-h]isochromene-6,8-dione
2-(hydroxymethyl)-6-{2-[2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]ethoxy}oxane-3,4,5-triol
(3r,5e)-14,16-dihydroxy-3-methyl-4,7,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
methyl (1s)-1,3-dimethyl-2-[(1e,3e)-3-methyl-7-oxoocta-1,3-dien-1-yl]-4-oxocyclohex-2-ene-1-carboxylate
(4r,4ar,5r)-5-hydroxy-3,4a,5-trimethyl-4h,6h,7h,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
3-{4-hydroxy-3-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]-5-(3-methylbut-2-en-1-yl)phenyl}propanoic acid
[(1r,4s)-1,4-dihydroxy-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid
(2s)-2-(6-acetyl-5-hydroxy-1-benzofuran-2-yl)propyl 3-methylbutanoate
3-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-2-hydroxy-6-(hydroxymethyl)-4-methoxybenzaldehyde
14,16-dihydroxy-3-methyl-4,5,6,7,8,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
(1s,2r,5r,9s,10s,11r,12r,15r)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadec-6-ene-3,8,14-trione
7,10-dihydroxy-1-(hydroxymethyl)-6-methoxy-1,4a-dimethyl-3,4-dihydro-2h-phenanthren-9-one
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{2-[(1r)-2-(hydroxymethyl)-3-methylcyclopent-2-en-1-yl]ethoxy}oxane-3,4,5-triol
6-hydroxy-2,4a,8a-trimethyl-8-methylidene-7-oxo-3,4,4b,9,10,10a-hexahydro-1h-phenanthrene-2-carboxylic acid
(1s,2r,7r,8s,9s,17s)-8-hydroxy-1,17-dimethyl-12-methylidene-10,13-dioxatetracyclo[7.7.1.0²,⁷.0¹¹,¹⁵]heptadec-11(15)-ene-14,16-dione
3,5-dihydroxy-1-methyl-3-({4-[(3-methylbut-2-en-1-yl)oxy]phenyl}methyl)-6h-pyrazin-2-one
(1s,2r,9s,11r,12r,15r)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.0²,¹⁰.0⁵,⁹]pentadec-6-ene-3,8,14-trione
5-[3-(4-hydroxy-3-methoxyphenyl)propyl]-2,4-dimethoxyphenol
4a-hydroxy-3,5,8-trimethylidene-2-oxo-hexahydro-3ah-azuleno[6,5-b]furan-6-yl propanoate
n-(4-{[1-hydroxy-3-(methylsulfanyl)prop-2-en-1-ylidene]amino}butyl)-3-phenylprop-2-enimidic acid
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-8-oxo-4h,5h,6h,7h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
1-(7-methoxy-2,2-dimethylchromen-6-yl)ethyl 3-methylbutanoate
(8s,10as)-8-hydroxy-3-isopropyl-7,7,10a-trimethyl-6h,6ah,8h,9h,10h-cyclohexa[h]chromene-2,5-dione
[(1r,3as,4s,8ar)-1,4-dihydroxy-7-isopropyl-1-methyl-2,3,3a,5,6,8a-hexahydroazulen-4-yl]methanesulfonic acid
6,8-dihydroxy-3-[(8s)-8-hydroxynon-5-en-1-yl]isochromen-1-one
1-(2,3-dimethoxy-5-methylphenoxy)-2,3-dimethoxy-5-methylbenzene
(4s,4as,10as)-4,8-dihydroxy-7-methoxy-1,1,4a-trimethyl-2,4,10,10a-tetrahydrophenanthrene-3,9-dione
6,9,10-trimethyl-2-oxo-4,14-dioxatetracyclo[7.5.0.0¹,¹³.0³,⁷]tetradeca-3(7),5-dien-8-yl propanoate
3-methoxy-5-[(1r)-1-methoxy-2-(4-methoxy-3-methylphenyl)ethyl]benzene-1,2-diol
(2s,3s)-1-(3-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)butane-1,3-diol
1β,14-dihydroxy-13-methoxy-8,11,13-podocar-patriene-2,7-dione
{"Ingredient_id": "HBIN002340","Ingredient_name": "1\u03b2,14-dihydroxy-13-methoxy-8,11,13-podocar-patriene-2,7-dione","Alias": "NA","Ingredient_formula": "C18H22O5","Ingredient_Smile": "CC1(CC(=O)C(C2(C1CC(=O)C3=C2C=CC(=C3O)OC)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5998","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
