Exact Mass: 312.1514
Exact Mass Matches: 312.1514
Found 500 metabolites which its exact mass value is equals to given mass value 312.1514,
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].
Benzyl butyl phthalate
CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10079; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10045 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10050; ORIGINAL_PRECURSOR_SCAN_NO 10048 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10020; ORIGINAL_PRECURSOR_SCAN_NO 10018 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10069; ORIGINAL_PRECURSOR_SCAN_NO 10066 CONFIDENCE standard compound; INTERNAL_ID 837; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9995; ORIGINAL_PRECURSOR_SCAN_NO 9990 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3597 CONFIDENCE standard compound; INTERNAL_ID 8369 D009676 - Noxae > D013723 - Teratogens
Olanzapine
Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. It has also been established in treating depression off-label because of its mood-stabilizing properties and its ability to increase the efficacy of antidepressants. Olanzapine is manufactured and marketed by the pharmaceutical company Eli Lilly and Company. It is available as a pill that comes in the strengths of 2.5 mg, 5 mg, 7.5 mg, 10 mg, 15 mg, and 20 mg and as as Zydis orally disintegrating tablets in the strengths of 5 mg, 10 mg, 15 mg, and 20 mg. It is also available as a rapid-acting intramuscular injection for short term acute use. Olanzapine (oh-LAN-za-peen, sold as Zyprexa, Zydis, or in combination with fluoxetine, as Symbyax) was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. Olanzapine was the third atypical antipsychotic to gain approval by the Food and Drug Administration (FDA) and has become one of the most commonly used atypical antipsychotics. Olanzapine has been approved by the FDA for the treatment of schizophrenia, acute mania in bipolar disorder, agitation associated with schizophrenia and bipolar disorder, and as maintenance treatment in bipolar disorder and psychotic depression. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors 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 D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics CONFIDENCE standard compound; INTERNAL_ID 1517 D049990 - Membrane Transport Modulators Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].
2',3,4',5-Tetrahydroxy-4-prenylstilbene
2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits. 2,3,4,5-Tetrahydroxy-4-prenylstilbene is a constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry) Constituent of Artocarpus incisus (breadfruit) and Morus alba (white mulberry). 2,3,4,5-Tetrahydroxy-4-prenylstilbene is found in fruits.
m-(beta-Acetyl-alpha-ethyl-p-hydroxyphenethyl)benzoic acid
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.
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
(E,E)-Arachidin I is found in nuts. (E,E)-Arachidin I is a constituent of peanuts (Arachis hypogaea). Constituent of peanuts (Arachis hypogaea). (E,E)-Arachidin I is found in nuts.
Chloropanaxydiol
Chloropanaxydiol is found in tea. Chloropanaxydiol is isolated from the dried callus of Panax ginseng (ginseng
(1E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hept-1-en-3-one
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.
Gancaonin V
Gancaonin V is found in herbs and spices. Gancaonin V is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin V is found in herbs and spices.
Honyudisin
Honyudisin is found in citrus. Honyudisin is a constituent of Citrus grandis (pummelo). Constituent of Citrus grandis (pummelo). Honyudisin is found in citrus.
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
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
21,22,23,24-Tetrahydroporphyrin
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
Nordentatin
Nordentatin is a member of the class of compounds known as angular pyranocoumarins. Angular pyranocoumarins are organic compounds containing a pyran (or a hydrogenated derivative) angularly fused to a coumarin moiety. Nordentatin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nordentatin can be found in sweet orange, which makes nordentatin a potential biomarker for the consumption of this food product.
Eriosematin
Eriosematin is a natural product found in Eriosema tuberosum with data available.
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
Desmosdumotin C
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)-
olanzapine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AH - Diazepines, oxazepines, thiazepines and oxepines D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors 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 D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 1517 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3697 Olanzapine (LY170053) is a selective, orally active monoaminergic antagonist with high affinity binding to serotonin H1, 5HT2A/2C, 5HT3, 5HT6 (Ki=7, 4, 11, 57, and 5 nM, respectively), dopamine D1-4 (Ki=11 to 31 nM), muscarinic M1-5 (Ki=1.9-25 nM), and adrenergic α1 receptor (Ki=19 nM). Olanzapine is an atypical antipsychotic[1][2].
1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
7,12-dihydroxy-1,5(10),6,8,12-abietapentaene-11,14-dione|sanigerone
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
2,6-dimethyl-8-[(2-oxo-2h-1-benzopyran-7-yl)oxy]-2,6-octadienal
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
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
<5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl>angelat|Angeloyl-4-Hydroxymethyl-2-(2-methoxy-5-vinylphenyl)-furan|[5-(2-Methoxy-4-vinylphenyl)-3-furylmethyl]angelat
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
2-carboxyl-4-(3-methyl-but-2-enyl)-5-methoxy-(1,1-biphenyl)-3-ol
17alpha-ethynyl-1,4-estradien-10,17beta-diol-3-one|17alpha-Ethynyl-1,4-estradiene-10,17beta-diol-3-one
6-(4-hydroxy-6-oxo-8-phenyloct-1,7-dienyl)-5,6-dihydro-2H-pyran-2-one
2,2,4,4-tetramethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione|champanone A
(Z)-Diversin|5-Oxo-Delta3-aurapten|7-(3,7-dimethyl-5-oxoocta-3E,6-dienyloxy)coumarin
(4E)-1-(4-dihydroxy-phenyl)-7-(3,4-hydroxyphenyl)-heptene-3-one|(4E)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptene-3-one|1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)-4(E)-hepten-3-one|alusenone|alusenone 1a
3-methoxy-4-hydroxy-5,7-epoxy-8,4-oxyneolign-7E-ene
(2R, 3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-hydroxy-3-methyl-5-(E)-propenylbenzofuran|callislignan A
2-methyl-5-(1-methylethyl)phenyl beta-D-glucopyranoside|2-methyl-5-(1-methylethyl)phenyl-beta-D-glucopyranoside|carvacryl beta-D-glucopyranoside
(E)-3-(3-methyl-2-butenyloxy)-3,4,5-trihydroxystilbene
(E)-2-(3-methyl-2-buten-1-yl)-3,3,4,5-tetrahydroxystilbene
5-(3-methoxy-1-propen-1-yl)-3-[4-(2-propen-1-yl)phenoxy]-1,2-benzenediol|9-methoxyobovatol
(1R,3R,5S,6E)-1,7-bis(4-hydroxyphenyl)-1,5-epoxy-3-hydroxyhept-6-ene
4,12-dihydroxy-2-oxatricyclo[13.2.2.13,7]icosa-3,5,7(20),15,17,18-hexaen-10-one|9-oxoacerogenin A
2,3,4-trimethylbenzyl alcohol-O-beta-D-glucopyranoside|2,3,4-trimethylbenzylalcohol-O-beta-D-glucopyranoside
13,15-Diacetoxy-pentadeca-8,10-dien-2,4,6-triin|13,15-diacetoxy-pentadeca-8,10-diene-2,4,6-triyne|Centaur X(1)
6-hydroxy-7-[(E,E)-3,7-dimethyl-2,4,7-octatrienyloxy]coumarin
3alpha-Acetoxy-7-hydroxy-5beta-isobutyryloxy-carvotanacetone
4,6-decadiyne-1-O-beta-D-glucopyranoside|carthamoside A2
butyl 2-[(benzoyloxy)methyl]benzoate|n-butyl 2-benzoyloxymethylbenzoate|spatozoate
1,2,6,7,8,9-Hexahydro-1,6,6-trimethyl-3,11-dioxanaphth[2,1-e]azulene-10,12-dione
1-(2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl)-2-methyl-1-propanone|1-{2-hydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methyl-1-propanone
Macaline A
See also: Lepidium meyenii root (part of). Lepidiline A shows cytotoxic activity against HL-60 cells with an IC50 of 32.3 μM.
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
(3E,5S,8R,11E,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
C16H24O6_beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one
(E)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)hept-4-en-3-one
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based on: CCMSLIB00000846817]
5-hydroxy-2,2-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-g]chromen-8-one [IIN-based: Match]
NEOPENTYL GLYCOL DIBENZOATE
CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10022; ORIGINAL_PRECURSOR_SCAN_NO 10019 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10040; ORIGINAL_PRECURSOR_SCAN_NO 10037 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10068; ORIGINAL_PRECURSOR_SCAN_NO 10063 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10088; ORIGINAL_PRECURSOR_SCAN_NO 10086 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10122; ORIGINAL_PRECURSOR_SCAN_NO 10118 CONFIDENCE standard compound; INTERNAL_ID 812; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10091; ORIGINAL_PRECURSOR_SCAN_NO 10086
4-(3-Methyl-1-butenyl)-3,3',4',5-tetrahydroxystilbene
honyudisin
tert-Butyl 4-(phenylamino)piperidine-1-carboxylate hydrochloride
2-CHLORO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-IMIDAZOLE
4-(3,4,5-TRIMETHOXY-PHENYL)-2,3-DIHYDRO-1H-BENZO[B][1,4]DIAZEPINE
tert-butyl 3-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
TERT-BUTYL (1-(6-CHLOROPYRIMIDIN-4-YL)PIPERIDIN-4-YL)CARBAMATE
Benzyl 2-butylpiperazine-1-carboxylate hydrochloride
4-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]oxyaniline
TERT-BUTYL 4-(6-CHLORO-2-METHYL-4-PYRIMIDINYL)TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
(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
(4-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
2-[ETHYL[4-[2-(4-NITROPHENYL)ETHENYL]PHENYL]AMINO]ETHANOL
tert-butyl [1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
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
[1-(2-CHLORO-PYRIMIDIN-4-YL)-PIPERIDIN-4-YL]-CARBAMIC ACID TERT-BUTYL ESTER
3-hydroxy-2,2-dimethylpropyl 3-hydroxy-2,2-dimethylpropionate diacrylate
tert-Butyl 4-[(6-chloropyrimidin-4-yl)amino]piperidine-1-carboxylate
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
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.
2,3-Dihydro-2-spiro-7-[8-imino-7,8-dihydronaphthalen-1-amine]perimidine
2,2-[Methylenebis(2,1-phenyleneoxymethylene)]dioxirane
2-[p-(Dimethylamino)benzoyl]-5-(dimethylamino)benzoic acid
Methyl 4-(benzyloxy)-3-(cyclopropylMethoxy)benzoate
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
N-(4-Amino-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide, HCl
(3-((2-(PIPERIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
(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
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(5-isopropyl-2-methylphenoxy)tetrahydro-2H-pyran-3,4,5-triol
1-(2-Methoxyethyl)-2-[(4-methoxyphenoxy)methyl]benzimidazole
N-[2-[(3-cyano-6-ethoxy-2-quinolinyl)amino]ethyl]propanamide
1,7-Bis(4-hydroxyphenyl)-5-hydroxy-1-heptene-3-one
6,7,8,13,14,15-Hexahydro-7,14-methanobenzo[6,7]cyclodeca[1,2-b]naphthalen-17-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
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
2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7-dimethylpurin-9-ium-6-one
beta-D-Glucopyranoside, 5-methyl-2-(1-methylethyl)phenyl
N-(4-methylphenyl)-2-pyridin-4-yl-4-quinazolinamine
5-methyl-6-pyridin-4-yl-6H-benzimidazolo[1,2-c]quinazoline
6-methyl-6-pyridin-4-yl-12H-benzimidazolo[1,2-c]quinazoline
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
4-[2-(3-Fluorophenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]morpholine
N-[4-cyano-1-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexanecarboxamide
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
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-2-(methylamino)-1H-purin-9-ium-6-one
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
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)-4-hepten-3-one
3-[(2-Oxo)-2-morpholinoethylamino]-4-methyl-6-phenylpyridazine
Isopropyl 2-(N-((4S)-4-(1-methylethyl)-2-oxazolidinone-3-carbamoyl)amino)-4-pentenoate
Butylbenzyl phthalate
D009676 - Noxae > D013723 - Teratogens
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
1-chloro-8-(3-heptyloxiran-2-yl)octa-4,6-diyne-2,3-diol
4-(3-Methyl-1-butenyl)-3,3,4,5-tetrahydroxystilbene
(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.
HCV-IN-31
HCV-IN-31 (compound 4) is a HCV inhibitor, with an EC50/EC95 of 15.7 μM for HCV replicon[1].
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].
1-{2-hydroxy-6-[(1e)-2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one
n-hexyl-2-hydroxy-n-[3-(2-oxo-5h-furan-3-yl)propanoyl]ethanehydrazonic acid
3-hydroxy-5-methoxy-4,6,6-trimethyl-2-[(2e)-3-phenylprop-2-enoyl]cyclohexa-2,4-dien-1-one
(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
2-(3-hydroxy-5-methoxy-2,4,6-trimethylphenyl)-5-methyl-1-benzofuran-4-ol
(1r,4s,13r,16s)-11-methyl-4-(prop-1-en-2-yl)-14-oxatetracyclo[8.5.1.0²,⁸.0¹³,¹⁶]hexadeca-2(8),10-diene-6,9,15-trione
7-[(3,7-dimethylocta-2,4,7-trien-1-yl)oxy]-6-hydroxychromen-2-one
(1r,13r,16s,18r)-3-hydroxy-13,17,17-trimethyl-8,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁴,⁹.0¹⁶,¹⁸]octadeca-2(11),3,5,9-tetraen-7-one
7-{[(3e)-3,7-dimethyl-5-oxoocta-3,6-dien-1-yl]oxy}chromen-2-one
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[(2,3,4-trimethylphenyl)methoxy]oxane-3,4,5-triol
3,11,17-trihydroxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2(19),3,5,14,16-hexaen-9-one
(3z,5s,11e,13r)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
2-(1-hydroxy-3-phenylprop-2-en-1-ylidene)-5-methoxy-4,6,6-trimethylcyclohex-4-ene-1,3-dione
2-(hydroxymethyl)-6-[2-(4-methylphenyl)propoxy]oxane-3,4,5-triol
7-hydroxy-7-(6-hydroxy-5-oxo-2,3,4,6,7,8-hexahydro-1-benzopyran-2-yl)heptanoic acid
(12s,15r)-11,11,15-trimethyl-4,10,19-trioxapentacyclo[13.3.1.0³,⁸.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1(18),2,6,8-tetraen-5-one
3-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydrophenanthrene-1,4,5-trione
(10s)-4,10-dihydroxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaen-8-one
1-{2-hydroxy-6-[2-(4-hydroxyphenyl)ethenyl]-4-methoxyphenyl}-2-methylpropan-1-one
(8r,13r,16r)-13-hydroxy-8,16-dimethyl-1,9-dioxacyclohexadec-11-ene-2,5,10-trione
2,2,4,4-tetramethyl-6-[(2e)-3-phenylprop-2-enoyl]cyclohexane-1,3,5-trione
(1s)-1-(hydroxymethyl)-6,6-dimethyl-1h,2h,7h,8h,9h-phenanthro[1,2-b]furan-10,11-dione
6-(4-hydroxy-6-oxo-8-phenylocta-1,7-dien-1-yl)-5,6-dihydropyran-2-one
2-(acetyloxy)-5,8-dimethyl-3-(prop-1-en-2-yl)naphthalen-1-yl acetate
5-[2-(3,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-1-en-1-yl)benzene-1,3-diol
(1r,11r,12s,13s,16r)-12-hydroxy-8,16-dimethyl-14-oxapentacyclo[11.2.2.1⁹,¹².0¹,¹¹.0⁴,¹⁰]octadeca-4,7,9-triene-6,15-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
3-hydroxy-13,17,17-trimethyl-6,12-dioxapentacyclo[11.4.1.0²,¹¹.0⁵,¹⁰.0¹⁶,¹⁸]octadeca-2,4,8,10-tetraen-7-one
1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-3,11-dioxanaphtho[2,1-e]azulene-10,12-dione
{"Ingredient_id": "HBIN000677","Ingredient_name": "1,2,6,7,8,9-hexahydro-1,6,6-trimethyl-3,11-dioxanaphtho[2,1-e]azulene-10,12-dione","Alias": "NA","Ingredient_formula": "C19H20O4","Ingredient_Smile": "CC1COC2=C1C(=O)OC(=O)C3=C2C=CC4=C3CCCC4(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33947","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
anticancerstilbenoid pmv70p691-039
{"Ingredient_id": "HBIN016359","Ingredient_name": "anticancerstilbenoid pmv70p691-039","Alias": "NA","Ingredient_formula": "C19H20O4","Ingredient_Smile": "CC(=CCC1=C(C=C(C(=C1)C=CC2=CC(=CC(=C2)O)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1443","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
