Exact Mass: 312.1626
Exact Mass Matches: 312.1626
Found 500 metabolites which its exact mass value is equals to given mass value 312.1626,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Yakuchinone-A
1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is a ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. It has a role as a metabolite, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an antineoplastic agent. It is a monomethoxybenzene, a member of phenols and a ketone. Yakuchinone-A is a natural product found in Alpinia oxyphylla with data available. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].
Praziquantel
Praziquantel is only found in individuals that have used or taken this drug. It is an anthelmintic used in most schistosome and many cestode infestations. [PubChem]Praziquantel works by causing severe spasms and paralysis of the worms muscles. This paralysis is accompanied - and probably caused - by a rapid Ca 2+ influx inside the schistosome. Morphological alterations are another early effect of praziquantel. These morphological alterations are accompanied by an increased exposure of schistosome antigens at the parasite surface. The worms are then either completely destroyed in the intestine or passed in the stool. An interesting quirk of praziquantel is that it is relatively ineffective against juvenile schistosomes. While initially effective, effectiveness against schistosomes decreases until it reaches a minimum at 3-4 weeks. Effectiveness then increases again until it is once again fully effective at 6-7 weeks. Glutathione S-transferase (GST), an essential detoxification enzyme in parasitic helminths, is a major vaccine target and a drug target against schistosomiasis. Schistosome calcium ion channels are currently the only known target of praziquantel. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals > P02BA - Quinoline derivatives and related substances D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
norajmaline
An organonitrogen heterocyclic compound that is ajmaline which is lacking the methyl substituent attached to the nitrogen of the dihydroindole moiety.
AR-42
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Phenylalanylphenylalanine
Phenylalanylphenylalanine (Phe-Phe) is a peptide made of two phenylalanine molecules. Phenylalanine is an essential amino acid and the precursor for the amino acid tyrosine. Like tyrosine, it is the precursor of catecholamines in the body (tyramine, dopamine, epinephrine and norepinephrine). The psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is a precursor of the neurotransmitters called catecholamines, which are adrenalin-like substances. Phenylalanine is highly concentrated in the human brain and plasma. The Phe-Phe recognition motif of the Alzheimer?s Abeta peptide is the smallest peptide able to assemble into higher ?order structures.(PMC:1796831) [HMDB] Phenylalanylphenylalanine (Phe-Phe) is a peptide made of two phenylalanine molecules. Phenylalanine is an essential amino acid and the precursor for the amino acid tyrosine. Like tyrosine, it is the precursor of catecholamines in the body (tyramine, dopamine, epinephrine and norepinephrine). The psychotropic drugs (mescaline, morphine, codeine, and papaverine) also have phenylalanine as a constituent. Phenylalanine is a precursor of the neurotransmitters called catecholamines, which are adrenalin-like substances. Phenylalanine is highly concentrated in the human brain and plasma. The Phe-Phe recognition motif of Alzheimers amyloid-beta peptide is the smallest peptide able to assemble into higher-order structures (PMID: 17172307).
Methyl (9Z)-10'-oxo-6,10'-diapo-6-carotenoate
Methyl (9Z)-10-oxo-6,10-diapo-6-carotenoate is a constituent of Bixa orellana (annatto) Constituent of Bixa orellana (annatto).
5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is a constituent of Alpinia officinarum (lesser galangal). Constituent of Alpinia officinarum (lesser galangal). 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices.
Chloropanaxydiol
Chloropanaxydiol is found in tea. Chloropanaxydiol is isolated from the dried callus of Panax ginseng (ginseng
4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone
4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone is found in herbs and spices. 4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone is a constituent of the leaves of thyme (Thymus vulgaris). Shows antioxidant activity. Constituent of the leaves of thyme (Thymus vulgaris). Shows antioxidant activity. 4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone is found in herbs and spices.
Ethopropazine
Ethopropazine is only found in individuals that have used or taken this drug.Ethopropazine (also known as profenamine hydrochloride) is a medication derived from phenothiazine. It is primarily used as an antidyskinetic to treat parkinsonism. It is sold under the trade names Parsidol in the United States and Parsidan in Canada.Ethopropazines antiparkinson action can be attributed to its anticholinergic properties. Ethopropazine partially blocks central (striatal) cholinergic receptors, thereby helping to balance cholinergic and dopaminergic activity in the basal ganglia; salivation may be decreased, and smooth muscle may be relaxed. Drug-induced extrapyramidal symptoms and those due to parkinsonism may be relieved, but tardive dyskinesia is not alleviated and may be aggravated by anticholinergic effects. Ethopropazines local anesthetic effect is due to its antagonism of the NMDA glutamate receptor. Glutamate is recognized as an important transmitter in nociceptive pathways, and the N-methyl-D-aspartate (NMDA) subtype of the glutamate receptor, in particular, has been implicated in the mediation of neuropathic pain. Excessive release of glutamate at NMDA receptors on dorsal horn neurons of the spinal cord results in hyperactivation and hypersensitivity of these receptors (perceived as hyperalgesia), thought to be an integral feature of neuropathic pain. N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
N-Undecylbenzenesulfonic acid
N-Undecylbenzenesulfonic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2-hydroxyethinylestradiol
2-hydroxyethinylestradiol is a metabolite of ethinyl estradiol. Ethinyl estradiol (EE) /ˌɛθɨnɨlˌiːstrəˈdaɪ.əl/, also sometimes written as ethinylestradiol, ethynyl estradiol, or ethinyl œstradiol, is a derivative of 17β-estradiol (E2), the major endogenous estrogen in humans. EE is an orally bioactive estrogen used in many formulations of combined oral contraceptive pills. It is one of the most commonly used medications for this purpose. (Wikipedia)
(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide
Propamidine
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives
1-Isopropyl-6-methylergoline-8-carboxylic acid
Xylamidine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Hypolide
(3bR,9bS)-6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e]isobenzofuran-1-one is an oxo steroid. Triptophenolide is a natural product found in Tripterygium regelii, Tripterygium hypoglaucum, and other organisms with data available. Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo: Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo:
6-hydroxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
5-(2-Ethoxyphenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one
Ethanediamide, N-(2-ethoxyphenyl)-N-(2-ethylphenyl)-
17alpha-ethynylestra-1,3,5(10)-trien-3,6alpha,17beta-triol|19-norpregna-1,3,5(10)-triene-20-yne-3,6alpha,17beta-triol|6alpha-hydroxy-ethinylestradiol|6alpha-hydroxy-ethynylestradiol
2-Phenyl-4--6-hydroxymethyl-2,3-dihydro-1,4-benzoxazin-3-on|6-hydroxymethyl-4-(2-methylamino-ethyl)-2-phenyl-4H-benzo[1,4]oxazin-3-one
3,4,18beta-cyclopropa-14-oxo-ent-abieta-8,9,13,15-dien-16,12-olide|retusolide B
methyl (Z)-4-<(2E,5E)-3,7-dimethylocta-2,5,7-trienyloxy>cinnamate
N(1)-desacetyl 18-hydroxyisoretuline|N-desacetyl-18-hydroxyisoretuline|Na-Desacetyl-18-hydroxyisoretuline
15,16-Epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide
(3S,5R)-3-Hydroxy-5-methoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene
(4bS,8aS)-4b,5,6,7,8,8a-Hexahydro-3-hydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion|Lanugon A
7-oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid
2-(4-hydroxy-phenyl)-6-methyl-4-(2-methylamino-ethyl)-4H-benzo[1,4]oxazin-3-one|2-<4(?)-Hydroxyphenyl>-4--6-methyl-2,3-dihydro-1,4-benzoxazin-3-on
Gravelliferon-methylaether|gravelliferone methyl ether|Me ether-Gravelliferone|Methyl-gravelliferon
17alpha-ethynyl-1,4-estradien-10,17beta-diol-3-one|17alpha-Ethynyl-1,4-estradiene-10,17beta-diol-3-one
(3aS,5aR,12bS,12cR)-2,3,3a,4,5a,6,11,12,12b,12c-decahydro-3a,12b-dimethylfuro[3,2:5,6]cyclohepta[1,2:3,4]naphtho[1,8-bc]furan-9(1H)-one|limbatenolide B
4-Methyl-2-(2,3-dimethylbenzyl)-3-[[(3-methyl-2-butenoyl)oxy]methyl]furan
E-1-[2,4-dihydroxy-5-(3-hydroxy-3-methylbutyl)benzyl]-2-phenylethylene|erythbidin C
2-methyl-5-(1-methylethyl)phenyl beta-D-glucopyranoside|2-methyl-5-(1-methylethyl)phenyl-beta-D-glucopyranoside|carvacryl beta-D-glucopyranoside
3-Ethyl-3-hydroxy-1,3-ethano-1,3-propanospiro[1H-indole-2(3H),2-piperidine]-9-one
2,3,4-trimethylbenzyl alcohol-O-beta-D-glucopyranoside|2,3,4-trimethylbenzylalcohol-O-beta-D-glucopyranoside
(12R)-4-methoxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-12-ol|2-O-methyl acerogenin A|acerogenin 2-methyl ether|acerogenin A methyl ether
3-(1,1-dimethylallyl)-8-(3,3-dimethylallyl)-7-methoxycoumarin
(3aS,5aR,12bS,12cR)-2,3,3a,4,5a,6,11,12,12b,12c-decahydro-3a,12b-dimethylfuro[3,2:5,6]cyclohepta[1,2:3,4]naphtho[1,8-bc]furan-7(1H)-one|limbatenolide A
(ent-12E)-15,16-Epoxy-1,3,12,13(16),14-clerodapentaen-18-oic acid
(5R,7S,10S)-7alpha,16,7beta,20-diepoxycleistantha-8,11,13-trien-3-one|(5S,7S,10R)-7alpha,16-7beta,20-Diepoxycleistantha-8,11,13-trien-3-one|<5S,7S,10R>-7alpha,16: 7beta,20-diepoxycleistantha-8,11,13-triene-3-one
3-Ethyl-2,20-dioxabicyclo(14.3.1(eicosa-3,6,9,16,19-pentaen-12-yn-18-one
3alpha-Acetoxy-7-hydroxy-5beta-isobutyryloxy-carvotanacetone
4,6-decadiyne-1-O-beta-D-glucopyranoside|carthamoside A2
7a,8,10,11-tetrahydro-3,8,8,11a-tetramethyl-phenanthro(10,1bc)pyran5(4H),9(7H)-dione|<5S,7S,10S>-3-oxo-cleistantha-8,11,13-trien-(16 - 7beta)-olide|[5S,7S,10S]-3-oxo-cleistantha-8,11,13-trien-(16 - 7beta)-olide
3,4,18beta-cyclopropa-14-oxo-ent-abieta-7,13,15-dien-16,12-olide|retusolide C
(E)-methyl 3-[2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-2H-chromen-6-yl]acrylate|8-(3,3-dimethylallyl)wenteria chromene|8-<3,3-dimethylallyl>-werneria chromene
4-Carbomethoxyathrixianon|4-Methoxycarbonylathrixianone
praziquantel
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02B - Antitrematodals > P02BA - Quinoline derivatives and related substances D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8927; ORIGINAL_PRECURSOR_SCAN_NO 8925 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8934; ORIGINAL_PRECURSOR_SCAN_NO 8932 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8954; ORIGINAL_PRECURSOR_SCAN_NO 8953 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8977; ORIGINAL_PRECURSOR_SCAN_NO 8976 CONFIDENCE standard compound; INTERNAL_ID 164; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8993; ORIGINAL_PRECURSOR_SCAN_NO 8991 CONFIDENCE standard compound; INTERNAL_ID 2202 [Raw Data] CB144_Praziquantel_pos_50eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_40eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_30eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_20eV_CB000054.txt [Raw Data] CB144_Praziquantel_pos_10eV_CB000054.txt CONFIDENCE standard compound; EAWAG_UCHEM_ID 3272
(3E,5S,8R,11E,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
C11-LAS (STANDARD MIX)
Auto-extracted from standard mix; CONFIDENCE Tentative identification: isomers possible (Level 3)
C11-LAS (SAMPLE)
Auto-extracted from 130925_neg_10.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
C16H24O6_beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
Triptophenolide
Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo: Triptophenolide is a colorless crystalline plate isolated from ethyl acetate extracts of Tripterygium wilfordii. IC50 value: Target: In vitro: Triptophenolide can remarkably inhibit the delayed type hypersensitivity (DTH) reaction induced by DNCB and BSA; and diminished the peripheral blood ANAE+lymphocytes in rats and micc. Moreover, triptophenolide can dramatically increase the amount of total serum complement and significautly decrcase the serum antibody products (1gG ) of rats and mice. The phagocytosis of perioneal exudate macrophages in mice present double effects in vitro [1]. In vivo:
2-hydroxyethinylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
19-Norpregna-1,3,5(10)-trien-20-yne-3,6,17-triol, (6b,17a)-
Apo-10'-bixinal
7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one
4'-Hydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,4-biphenylquinone
tert-Butyl 4-(phenylamino)piperidine-1-carboxylate hydrochloride
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
Benzyl 2-butylpiperazine-1-carboxylate hydrochloride
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxyaniline
(R)-N,Nμ-Dimethyl-2,2μ-diamino-1,1μ-binaphthyl,(R)-N,Nμ-Dimethyl-1,1μ-binaphthalene-2,2μ-diamine
(S)-2-(tert-Butyldiphenylsilanyloxy)propionaldehyde
2-((4-Ethoxyphenyl)amino)-2-phenyl-N-propylacetamide
2-[ETHYL[4-[2-(4-NITROPHENYL)ETHENYL]PHENYL]AMINO]ETHANOL
5,6,14,15-DIBENZO-1,4-DIOXA-8,12-DIAZACYCLOPENTADECA-5,14-DIENE
Ethyl7-benzyl-4-hydroxy-5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate
2-(2-Ethoxyphenyl)-5-methyl-7-propyl-3H-imidazol[5,1-f][1,2,4]-triazin-4-one
3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate diacrylate
2-(BENZYLOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINE
Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoate
(3S,6S,8AS)-METHYL 6-((TERT-BUTOXYCARBONYL)AMINO)-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE
2-Methyl-2-propanyl 7-(2-methoxy-2-oxoethyl)-6-oxo-1,7-diazaspiro [4.4]nonane-1-carboxylate
methyl 2-(4-benzylpiperazin-1-yl)pyrimidine-5-carboxylate
Tofacitinib
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors > D000075242 - Janus Kinase Inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
4-[2-(3,4-DIHYDRO-6,7-DIMETHOXY-2(1H)-ISOQUINOLINYL)ETHYL]-BENZENAMINE
(8R,9S,10R,13S,14S)-10,13-Dimethylspiro[7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthrene-6,2-oxirane]-3,17(10H,14H)-dione
benzyl (2R)-2-butylpiperazine-1-carboxylate,hydrochloride
Molindone hydrochloride
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent Molindone hydrochloride (EN-1733A) is a therapeutic antipsychotic, used in the treatment of schizophrenia, works by blocking the effects of dopamine in the brain, leading to diminished psychoses.
Trenbolone Acetate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D045930 - Anabolic Agents C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid
2-[p-(Dimethylamino)benzoyl]-5-(dimethylamino)benzoic acid
4-(2,3-Difluoro-5-Methyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
trans-4-(Benzyloxycarbonylamino)cyclohexanemethylamine hydrochloride
Amides,coco, N-[3-(dimethylamino)propyl]
4-Chloro-4-(trans-4-propylcyclohexyl)-1,1-biphenyl
2,4-bis(dimethoxymethyl)-2,4-bis(hydroxymethyl)pentane-1,5-diol
(R)-Benzyl 2-isobutylpiperazine-1-carboxylate hydrochloride
(S)-Benzyl 2-isobutylpiperazine-1-carboxylate hydrochloride
methyl (3s,6s,8ar)-6-[(tert-butoxycarbonyl)amino]-5-oxooctahydroindolizine-3-carboxylate
4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
benzyl (2S)-2-butylpiperazine-1-carboxylate,hydrochloride
2-(4-(1,1-Dimethylethyl)cyclohexyl)-3-hydroxy-1,4-naphthalenedione
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(5-isopropyl-2-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
2-[3-(2-Hydroxyethoxy)-2,2-bis(2-hydroxyethoxymethyl)propoxy]ethanol
1-(2-Methoxyethyl)-2-[(4-methoxyphenoxy)methyl]benzimidazole
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide
6,7,8,13,14,15-Hexahydro-7,14-methanobenzo[6,7]cyclodeca[1,2-b]naphthalen-17-one
(2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one
Profenamine
N - Nervous system > N04 - Anti-parkinson drugs > N04A - Anticholinergic agents > N04AA - Tertiary amines D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C38149 - Antiparkinsonian Agent
propamidine
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent S - Sensory organs > S01 - Ophthalmologicals > S01A - Antiinfectives
Yakuchinone A
Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].
Thebaine(1+)
The trialkylammonium ion resulting from the protonation of the amino group of thebaine.
(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propylidene]amino]-3-(4-hydroxyphenyl)propanal
beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
N-(3-methoxyphenyl)-4-[(2-methyl-1-oxopropyl)amino]benzamide
(E)-3-(((quinolin-8-ylmethylene)amino)oxy)butyl cyclopropanecarboxylate
(2S,3E)-4-[(4aR,5aS,9R,10aR,11S,11aS)-11-hydroxy-2,3,4,4a,5a,6,9,10a,11,11a-decahydropyrano[2,3:5,6]pyrano[3,2-b]oxepin-9-yl]but-3-ene-1,2-diol
1-{4-[(2-Hydroxyethyl)carbamoyl]benzyl}-1-methylpiperidinium chloride
methyl 2-methyl-4-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
3-[(2-Oxo)-2-morpholinoethylamino]-4-methyl-6-phenylpyridazine
3-Ethoxy-6-(5-methyl-1-methylthiomethoxy-4-hexenyl)-2-cyclohexen-1-one
Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate
Yakuchinone A
1-(4-hydroxy-3-methoxyphenyl)-7-phenyl-3-heptanone is a ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. It has a role as a metabolite, a cyclooxygenase 1 inhibitor, a cyclooxygenase 2 inhibitor, an EC 1.14.13.39 (nitric oxide synthase) inhibitor and an antineoplastic agent. It is a monomethoxybenzene, a member of phenols and a ketone. Yakuchinone-A is a natural product found in Alpinia oxyphylla with data available. A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1]. Yakuchinone A is a natural product isolated from the fruit of Alpinia oxyphylla, which can induce apoptosis and has anticancer and anti-inflammatory activities[1].
Ethyl 4-methyl-5-(1-methylethoxy)-9H-pyrido(3,4-b)indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
4-Hydroxy-5,5-diisopropyl-2,2-dimethyl-3,4-biphenylquinone
1-chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
(2S)-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}-3-phenylpropanoate
5,13-Dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
Phe-Phe zwitterion
An L-aminoacyl-L-amino acid zwitterion resulting from transfer of a proton from the carboxy to the amino group of L-phenylalanyl-L-phenylalanine; major species at pH 7.3.
RSVA405
RSVA405 is a potent, orally active activator of AMPK, with an EC50 of 1 μM. RSVA405 facilitates CaMKKβ-dependent activation of AMPK, inhibits mTOR, and promotes autophagy to increase Aβ degradation. RSVA405 has anti-inflammatory effects through the inhibition of STAT3 function. RSVA405 can also be used for the research of obesity[1][2][3][4].
methyl (2e)-3-[2,2-dimethyl-8-(3-methylbut-2-en-1-yl)chromen-6-yl]prop-2-enoate
2,4b,8,8a-tetramethyl-10-oxo-6,9-dihydro-5h-phenanthren-3-yl acetate
n-hexyl-2-hydroxy-n-[3-(2-oxo-5h-furan-3-yl)propanoyl]ethanehydrazonic acid
(2s,5s,7r,8s,17s)-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadeca-1(11),13-diene-12,15-dione
(3s,5r,7s,8r)-7,8-dihydroxy-5-(2-hydroxypropan-2-yl)-11,11-dimethyl-4,10-dioxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-13-one
(10ar)-5,6-dihydroxy-7-isopropyl-1,1,10a-trimethyl-2h-phenanthren-3-one
(2r,6as,7r,10ar)-2-hydroxy-2,5-dimethyl-10-methylidene-7-(prop-1-en-2-yl)-3h,6ah,7h,8h,9h,10ah-cyclohexa[e]azulene-1,4-dione
(2r,3s)-2,3,9-trimethyl-2-(4-methylpent-3-en-1-yl)-3h-furo[3,2-c]chromen-4-one
(1s,2r,7s,8r,17r)-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadeca-10,13-diene-12,15-dione
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
2,7,14-trimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadeca-10,13-diene-12,15-dione
(4ar)-5-hydroxy-7-isopropyl-1,1,4a-trimethyl-2,4-dihydrophenanthrene-3,6-dione
(7s)-7-[2-(furan-3-yl)ethyl]-6,7-dimethyl-3h,4h,5h,6h-cyclodeca[c]furan-1-one
(3z,5s,11e,13r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
(2r,3r,6as,7r,10ar)-3-hydroxy-2,5-dimethyl-10-methylidene-7-(prop-1-en-2-yl)-2h,3h,6ah,7h,8h,9h,10ah-cyclohexa[e]azulene-1,4-dione
7-hydroxy-2-methyl-6,8-bis(3-methylbut-2-en-1-yl)chromen-4-one
2-(hydroxymethyl)-6-[2-(4-methylphenyl)propoxy]oxane-3,4,5-triol
7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one
(1r,10s,11s)-6-ethyl-5,11-dimethyl-14-oxatetracyclo[9.3.3.0¹,¹⁰.0²,⁷]heptadeca-2(7),3,5-triene-8,12-dione
7-hydroxy-7-(6-hydroxy-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-2-yl)heptanoic acid
(1e,3z,6r,7r)-6-[(1e)-2-(furan-3-yl)ethenyl]-6,7-dimethyl-10-methylidenecyclodeca-1,3-diene-1-carboxylic acid
(2r)-2-hydroxy-1-(7-hydroxy-6-isopropyl-2-methylnaphthalen-1-yl)-4-methylpent-3-en-1-one
10-hydroxy-1,6,6,9a-tetramethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-11-one
(8r,13r,16r)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione
methyl (2z)-3-(4-{[(2e,5e)-3,7-dimethylocta-2,5,7-trien-1-yl]oxy}phenyl)prop-2-enoate
13-hydroxy-3-isopropyl-1,8,13-trimethyltricyclo[7.4.1.0⁵,¹⁴]tetradeca-3,5,7,9(14)-tetraene-2,10-dione
6-[(4-methoxyphenyl)methyl]-6-methyl-2h,5h,7h,8h-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
(9s)-3,4-dihydroxy-16-methoxy-10,10-dimethyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-10-ium
15,16-epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide
{"Ingredient_id": "HBIN001570","Ingredient_name": "15,16-epoxy-5,10-seco-clerodan-1(10),2,4,13(16),14-pentaen-18,19-olide","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "CC1CCC2=C(C=CC=CC1(C)CCC3=COC=C3)C(=O)OC2","Ingredient_weight": "312.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7198","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101210628","DrugBank_id": "NA"}
15,16-epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide
{"Ingredient_id": "HBIN001578","Ingredient_name": "15,16-epoxy-neo-clerodan-1,3,13(16),14-tetraen-18,19-olide","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "CC1CCC23COC(=O)C2=CC=CC3C1(C)CCC4=COC=C4","Ingredient_weight": "312.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7175","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5317151","DrugBank_id": "NA"}
1-oxo-salvibretol
{"Ingredient_id": "HBIN002949","Ingredient_name": "1-oxo-salvibretol","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "CC1=C2C(=O)CCC(C3(C2=C(C=C1)C=C(C3=O)C(C)C)C)(C)O","Ingredient_weight": "312.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10495322","DrugBank_id": "NA"}
3-acetoxy-17-oxo-estra-1,3,5(10)-triene
{"Ingredient_id": "HBIN007858","Ingredient_name": "3-acetoxy-17-oxo-estra-1,3,5(10)-triene","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4=O)C","Ingredient_weight": "312.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "273","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "92846","DrugBank_id": "NA"}
3-oxomicrostegiol
{"Ingredient_id": "HBIN009428","Ingredient_name": "3-oxomicrostegiol","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "CC1=C2CCC(=O)C(C3(C2=C(C=C1)C=C(C3=O)C(C)C)O)(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16383","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-oxosaprorthoquinone
{"Ingredient_id": "HBIN009437","Ingredient_name": "3-oxosaprorthoquinone","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC(=O)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16406","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5r)-3-hydroxy-5-methoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene
{"Ingredient_id": "HBIN009647","Ingredient_name": "(3s,5r)-3-hydroxy-5-methoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "COC(CC(CCC1=CC=C(C=C1)O)O)C=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10410","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(3s,5s)-3-hydroxy-5-methoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene
{"Ingredient_id": "HBIN009668","Ingredient_name": "(3s,5s)-3-hydroxy-5-methoxy-1-(4-hydroxy-phenyl)-7-phenyl-6 e-heptene","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "COC(CC(CCC1=CC=C(C=C1)O)O)C=CC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10411","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-methoxy-7-(4''-hydroxyphenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011743","Ingredient_name": "5-methoxy-7-(4''-hydroxyphenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C20H24O3","Ingredient_Smile": "COC(CCC1=CC=C(C=C1)O)CC(=O)CCC2=CC=CC=C2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "13960","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
