Exact Mass: 368.1657358
Exact Mass Matches: 368.1657358
Found 500 metabolites which its exact mass value is equals to given mass value 368.1657358,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Mitraphylline
Mitraphylline is a member of indolizines. Mitraphylline is a natural product found in Uncaria tomentosa, Mitragyna parvifolia, and other organisms with data available. See also: Cats Claw (part of); Mitragyna speciosa leaf (part of). Annotation level-1 Mitraphylline is the major pentacyclic oxindolic alkaloid presented in Uncaria tomentosa. Mitraphylline inhibits lipopolysaccharide-mediated activation of primary human neutrophils[1]. Mitraphylline is the major pentacyclic oxindolic alkaloid presented in Uncaria tomentosa. Mitraphylline inhibits lipopolysaccharide-mediated activation of primary human neutrophils[1].
Uncarine
Uncarine E is a member of indolizines. Isopteropodine is a natural product found in Uncaria lanosa, Uncaria tomentosa, and other organisms with data available. See also: Cats Claw (part of). Isopteropodine is heteroyohimbine-type oxindole alkaloid components of Uncaria tomentosa (Willd.) DC. Isopteropodine acts as positive modulators of muscarinic M1 and 5-HT2 receptors[1]. Isopteropodine is heteroyohimbine-type oxindole alkaloid components of Uncaria tomentosa (Willd.) DC. Isopteropodine acts as positive modulators of muscarinic M1 and 5-HT2 receptors[1]. Isopteropodine is heteroyohimbine-type oxindole alkaloid components of Uncaria tomentosa (Willd.) DC. Isopteropodine acts as positive modulators of muscarinic M1 and 5-HT2 receptors[1].
UNCARIN C
Uncarine C is a member of indolizines. Uncarine c is a natural product found in Uncaria lanosa, Uncaria tomentosa, and other organisms with data available. See also: Cats Claw (part of).
Dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate or DHEA-S is the sulfated form of dehydroepiandrosterone (DHEA). This sulfation is reversibly catalyzed by sulfotransferase 2A1 (SULT2A1) primarily in the adrenals, the liver, and small intestine. In the blood, most DHEA is found as DHEA-S with levels that are about 300 times higher than those of free DHEA. Orally-ingested DHEA is converted into its sulfate when passing through the intestines and liver. Whereas DHEA levels naturally reach their peak in the early morning hours, DHEAS levels show no diurnal variation. From a practical point of view, measurement of DHEA-S is preferable to DHEA since levels are more stable. DHEA (from which DHEA-S comes from) is a natural steroid prohormone produced from cholesterol by the adrenal glands, the gonads, adipose tissue, brain, and in the skin (by an autocrine mechanism). DHEA is the precursor of androstenedione, which can undergo further conversion to produce the androgen testosterone and the estrogens estrone and estradiol. DHEA is also a potent sigma-1 agonist. Serum dehydroepiandrosterone sulfate is a classic marker for adrenarche, and subsequently for the individual hormonal milieu (PMID: 10599744). Dehydroepiandrosterone sulfate is an endogenously produced sex steroid that has been hypothesized to have anti-aging effects (PMID: 16960027). It also has been inversely associated with the development of atherosclerosis (PMID: 8956025). DHEAS or Dehydroepiandrosterone sulfate is the sulfated form of DHEA. This sulfation is reversibly catalyzed by sulfotransferase (SULT2A1) primarily in the adrenals, the liver, and small intestine. In the blood, most DHEA is found as DHEAS with levels that are about 300 times higher than those of free DHEA. Orally-ingested DHEA is converted to its sulfate when passing through intestines and liver. Whereas DHEA levels naturally reach their peak in the early morning hours, DHEAS levels show no diurnal variation. From a practical point of view, measurement of DHEAS is preferable to DHEA, as levels are more stable. DHEA (from which DHEAS comes from) is a natural steroid prohormone produced from cholesterol by the adrenal glands, the gonads, adipose tissue, brain and in the skin (by an autocrine mechanism). DHEA is the precursor of androstenedione, which can undergo further conversion to produce the androgen testosterone and the estrogens estrone and estradiol. DHEA is also a potent sigma-1 agonist. DHEAS can serve as a precursor for testosterone; androstenedione; estradiol; and estrone. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Talactoferrin Alfa
D000970 - Antineoplastic Agents
2',4-Dihydroxy-4',6'-dimethoxy-3'-prenylchalcone
2,4-Dihydroxy-4,6-dimethoxy-3-prenylchalcone is found in alcoholic beverages. 2,4-Dihydroxy-4,6-dimethoxy-3-prenylchalcone is isolated from Humulus lupulus (hops). Isolated from Humulus lupulus (hops). 2,4-Dihydroxy-4,6-dimethoxy-3-prenylchalcone is found in alcoholic beverages.
uncarine d
Testosterone sulfate
C19H28O5S (368.16573580000005)
Testosterone is a predominantly male hormone, though females do produce certain amounts of it. The primary female hormone is estrogen and males also produce certain amounts of this hormone. testosterone causes the appearance of male traits (i.e deepening voice, pubic and facial hairs, muscular build, etc.). The keto group on C-17 is reduced to an alcohol to yield testosterone. Testosterone is a steroid hormone from the androgen group. testosterone is primarily secreted in the testes of males and the ovaries of females although small amounts are secreted by the adrenal glands. It is the principal male sex hormone and an anabolic steroid. In both males and females, it plays key roles in health and well-being. On average, the adult male body produces about twenty times the amount of testosterone that an adult females body does. Free testosterone (T) is transported into the cytoplasm of target tissue cells, where it can bind to the androgen receptor, or can be reduced to 5-alpha -dihydrotestosterone (DHT) by the cytoplasmic enzyme 5-alpha-reductase(5-alpha-reduktas). DHT binds to the same androgen receptor even more strongly than T, so that its androgenic potency is about 2.5 times that of T. The T-receptor or DHT-receptor complex undergoes a structural change that allows it to move into the cell nucleus and bind directly to specific nucleotide sequences of the chromosomal DNA. The areas of binding are called hormone response elements (HREs), and influence transcriptional activity of certain genes, producing the androgen effects. It is important to note that if there is a too low amount of 5-alpha-reductase(5-alfa-reduktas), the body (of a human) will continue growing into a female with testicles. Testerone is a predominantly male hormone, though females do produce certain amounts of it. The primary female hormone is estrogen and males also produce certain amounts of this hormone. testosterone causes the appearance of male traits (i.e deepening voice, pubic and facial hairs, muscular build, etc.) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens
Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside
Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside is found in root vegetables. Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside is a constituent of Helianthus tuberosus (Jerusalem artichoke). Constituent of Helianthus tuberosus (Jerusalem artichoke). Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside is found in root vegetables.
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]
C15H28O10 (368.16823880000004)
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] is found in root vegetables. (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] is a constituent of the roots of cassava (Manihot esculenta). Constituent of the roots of cassava (Manihot esculenta). (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] is found in root vegetables.
9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen
9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen is found in citrus. 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen is a constituent of Citrus medica (citron). Constituent of Citrus medica (citron). 9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen is found in citrus.
Kanzonol P
Kanzonol P is found in herbs and spices. Kanzonol P is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Kanzonol P is found in herbs and spices.
4-Hydroxy-3-prenylbenzoic acid glucoside
4-Hydroxy-3-prenylbenzoic acid glucoside is found in nuts. 4-Hydroxy-3-prenylbenzoic acid glucoside is a constituent of almond hulls (Prunus amygdalus). Constituent of almond hulls (Prunus amygdalus). 4-Hydroxy-3-prenylbenzoic acid glucoside is found in nuts.
Epitestosterone sulfate
C19H28O5S (368.16573580000005)
Epitestosterone Sulfate is a sulfate conjugate of endogenous steroids hormone epitestosterone produced by both sexes and was determined using LC-MS/MS. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
N-Desmethyleletriptan
N-Desmethyleletriptan is only found in individuals that have used or taken Eletriptan. N-Desmethyleletriptan is a metabolite of Eletriptan. N-desmethyleletriptan belongs to the family of Indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
1-Naphthalenyl[4-(pentyloxy)-1-naphthalenyl]methanone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(3R,4R)-4-Amino-1-[[4-[(3-methoxyphenyl)amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
C19H24N6O2 (368.19606439999995)
AB-Fubinaca
C20H21FN4O2 (368.16484579999997)
[(2R,5S,15S)-2,15-Dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-yl]oxidanesulfonic acid
C19H28O5S (368.16573580000005)
5-(3-(4-(2-(4-Fluorophenyl)ethoxy)phenyl)propyl)furan-2-carboxylic acid
Dialdehyde
Cyclohexanol, 4-(4-(4-fluorophenyl)-5-(2-methoxy-4-pyrimidinyl)-1H-imidazol-1-yl)-, trans-
C20H21FN4O2 (368.16484579999997)
1,3-Dimethoxymethyl-5,5-diphenylbarbituric acid
Fabatin
C18H28N2O4S (368.17696880000005)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents Constituent of Vicia faba. Fabatin is found in broad bean. D049990 - Membrane Transport Modulators
Sinapine thiocyanate
Sinapine thiocyanate is an alkaloid isolated from seeds of the cruciferous species. Sinapine thiocyanate exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine thiocyanate is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine thiocyanate is an alkaloid isolated from seeds of the cruciferous species. Sinapine thiocyanate exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine thiocyanate is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].
8alpha-Acetoxy-10alpha-hydroxy-13-O-methylhirsutinolide
Quercetol C
Edulane
Louisfieserone A
Glyasperin H
Spherosinin
N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
C20H21FN4O2 (368.16484579999997)
3,4-Dichloro-N-[[1-(1-piperidinyl)cyclohexyl]methyl]-benzamide
(2S,3S,4S,8R,9S,13R,14R,15S,16R)-3,4,8,14,15-pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadecan-11-one
2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium;thiocyanate
11-ethyl-5,6-dioxo-5,6,8,9,10,11,12,14-octahydro-4bH-7,14-diaza-7,11-methano-cycloundeca[a]indene-13-carboxylic acid methyl ester|Ervinidin
4-(3,4,8,9-Tetrahydro-8-isopropenyl-5-methoxy-2H-furo[2,3-h]-1-benzopyran-3-yl)-3-methoxyphenol
3-(3-methylbut-2-enyloxy)-4-O-alpha-D-ribofuranose benzoic acid methyl ester
(2S)-5,7-Dimethoxy-8-(2R-hydroxy-3-methyl-3-butenyl)-flavanone
1-formyl-19-hydroxy-17-methoxy-aspidospermidin-21-oic acid lactone|1-Formyl-19-hydroxy-17-methoxy-aspidospermidin-21-saeure-lacton|Dichotamin|dichotamine
9-ethylidene-12-hydroxy-6,7,7a,8,8a,9,10,12-octahydro-5H-indolo[3,2,1-ij]pyrano[3,4-b][1,5]naphthyridine-12a-carboxylic acid methyl ester|Talbotin|Talbotine,
lespeflorin G8
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 8, methoxy groups at positions 3 and 9 and a prenyl group at position 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
2,4-dihydroxy-4,6-dimethoxy-3-prenylchalcone|4-O-methylxanthohumol
(3E,6xi,9R,10R)-6-chlorolauthisa-3,11-dien-1-yne-9,10-diyl diacetate
5-oxo-17-deacetyl-1,2-dihydroakuammiline|methyl (16R,19E)-1,2-dihydro-16-(hydroxymethyl)-5-oxo-akuammilan-17-oate
lachnophyllum acid(4-O-methyl siringenin)-ester|lachnophyllum acid<4-O-methyl siringenin>-ester
2-methylpropanyl 6-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
C15H28O10 (368.16823880000004)
8-hydroxy-10-oxo-aspidofractinine-3-carboxylic acid methyl ester|Kopsinilamin
3alpha-isobutyryloxy-5beta-(4-hydroxytigloyloxy)-7-hydroxycarvotacetone|3alpha-isobutyryloxy-5beta-<4-hydroxytigloyloxy>-7-hydroxycarvotacetone
8-hydroxy-19-oxo-ibogamine-18-carboxylic acid methyl ester|Eglandulosin
tert-Butyl glycoside-alpha-Pyranose-2-O-beta-D-Glucopyranosyl-L-arabinose
C15H28O10 (368.16823880000004)
(2S,5S)-2,5-bis<(3R)-3-methyl-2,5-dioxo-piperazin-1-yl>cyclohexane-1,4-diol|(2S,5S)-2,5-bis[(3R)-3-methyl-2,5-dioxo-piperazin-1-yl]cyclohexane-1,4-diol
Na-formylechitamide|Na-Formylechitamidine|Na-ylechitamidine
(19S)-17,19-epoxy-10-hydroxy-coryn-16-ene-16-carboxylic acid methyl ester|10-hydroxy-19alpha-methyl-18-oxa-yohimb-16-ene-16-carboxylic acid methyl ester|10-Hydroxy-Ajmalicin|10-hydroxy-ajmalicine|10-hydroxyajmalicine|Hydroxy-10-ajmalicin|O-demethyl-cabucine
2,5alpha-epoxy-12-methoxy-(2alpha)-1,2-dihydro-akuammilan-17-oic acid methyl ester|Vincaricin|vincaricine
3,9-dimethoxy-2-prenyl-(6aR,11aR)pterocarpan|Erythribyssin C
(6aS,11aS)-3-hydroxy-6a,9-dimethoxy-10-(3,3-dimethylallyl)pterocarpan|Erythribyssin A
4,11-dihydroxy-6,7-didehydro-11,20-cyclo-aspidospermidine-3-carboxylic acid methyl ester|Melobalin
4,5-Methylene,3-Me ether,Ac-3,4,4,5-Tetrahydroxy-2,7-cyclolignan
3(S)-7-hydroxy-2,4-dimethoxy-5-(gamma,gamma-dimethylallyl)isoflavanone|Erythribyssin E
9-demethoxy-18-demethylgardneramine
A natural product found in Gardneria ovata.
1beta,3alpha-diethyloxy-7-hydroxymethyl-4-(3-methyl-butyryloxymethyl)-cyclopenta-4(4a),7(7a)-diene[c]pyran-6-one
10-hydroxyakuammidine|methyl (19E)-10,17-dihydroxysarpagan-16-carboxylate
(4S,4aS,5R,6S,8aS,9aS)-6-(acetyloxy)-4a,5,6,7,8,8a,9,9a-octahydro-8a-hydroxy-4,9a-dimethoxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|3beta-acetoxy-10beta-hydroxy-6beta,8beta-dimethoxyeremophil-7(11)-en-12,8alpha-olide
1alpha-chloro-10beta-hydroxy-6beta-(2-methylpropanoyloxy)-9-oxo-7,8-furoeremophilane|1alpha-chloro-6beta-isobutyroxy-9-oxo-10beta-hydroxy-furanoeremophilane|1alpha-chloro-6beta-isobutyryloxy-9-oxo-10beta-hydroxyfuranoeremophilane
ent-6xi,7xi-epoxy-3xi-hydroxy-3xi-methoxymethyl-1,2-didehydro-aspidospermidin-8-one
3-(3-Hydroxy-2,4-dimethoxyphenyl)-3,4-dihydro-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b]dipyran
1-acetyl-17,19-epoxy-11-methoxy-18-nor-cur-19-en-17-ol|11-Methoxy-diabolin
11-methoxy-19,20alpha-epoxyakuammicine|19,20alpha-epoxy-11-methoxyakuammicine
4-(3,4,8,9-Tetrahydro-8-isopropenyl-5-hydroxy-6-methyl-2H-furo[2,3-h]-1-benzopyran-3-yl)-3-methoxyphenol
(11E)-4,15,12-trimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5.7(20),11,15,18-heptaen-10-one|garuganin III
Pentanoic acid, 4,5-bis(benzoylamino)-, ethyl ester
Isomitraphyllin
Isomitraphylline is a natural product found in Uncaria tomentosa, Mitragyna parvifolia, and other organisms with data available. See also: Cats Claw (part of).
Sinapinethiocyanate
Sinapine thiocyanate is an alkaloid isolated from seeds of the cruciferous species. Sinapine thiocyanate exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine thiocyanate is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4]. Sinapine thiocyanate is an alkaloid isolated from seeds of the cruciferous species. Sinapine thiocyanate exhibits anti-inflammatory, anti-oxidant, anti-tumor, anti-angiogenic and radio-protective effects. Sinapine thiocyanate is also an acetylcholinesterase (AChE) inhibitor and can be used for the research of Alzheimer’s disease, ataxia, myasthenia gravis, and Parkinson’s disease[1][2][3][4].
16-Epivoacarpine
16-Epivoacarpine is a natural alkaloid isolated from Gelsemium elegans[1].
(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
C21H24N2O4_2,6-Methano-1H-azecino[5,4-b]indole-14-carboxylic acid, 5-ethylidene-2,3,4,5,6,7,8,9-octahydro-3-methyl-8-oxo-, methyl ester, 3-oxide, (5E)
Dehydroepiandrosterone sulfate
C19H28O5S (368.16573580000005)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone.
C19H28O7_4H-Phenanthro[10,1-bc]furan-4-one, tetradecahydro-1,2,6,9,10-pentahydroxy-3,10a,10c-trimethyl-7-methylene-, (1S,2R,3R,5aS,6R,9S,10S,10aS,10cR)
C21H24N2O4_(1R,5R,8S,16S,17S)-11,12-Dimethoxy-5,15-diazahexacyclo[13.4.2.0~1,16~.0~5,16~.0~8,17~.0~9,14~]henicosa-2,9,11,13-tetraen-21-one 5-oxide
(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate
(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848309]
(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based: Match]
(2S)-8-[(E)-3-hydroxy-3-methylbut-1-enyl]-5,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one [IIN-based on: CCMSLIB00000848308]
Dehydroepiandrosterone sulfate; LC-tDDA; CE10
C19H28O5S (368.16573580000005)
Dehydroepiandrosterone sulfate; LC-tDDA; CE20
C19H28O5S (368.16573580000005)
Dehydroepiandrosterone sulfate; LC-tDDA; CE30
C19H28O5S (368.16573580000005)
Dehydroepiandrosterone sulfate; LC-tDDA; CE40
C19H28O5S (368.16573580000005)
(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate_70.7\\%
(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate_major
2-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxyethyl-trimethylazanium;thiocyanate_major
(2S,3S,4S,8R,9S,13R,14R,15S,16R)-3,4,8,14,15-pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.0²,?.0¹²,¹?]hexadecan-11-one
(1R,2E,8S,10R,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,?]tetradeca-2,6-dien-8-yl acetate
Ala Ala Ala His
Ala Ala His Ala
Ala His Ala Ala
Gly Gly His Val
Gly Gly Val His
Gly His Gly Val
Gly His Val Gly
Gly Val Gly His
Gly Val His Gly
His Ala Ala Ala
His Gly Gly Val
His Gly Val Gly
His Val Gly Gly
Val Gly Gly His
Val Gly His Gly
Val His Gly Gly
Testosterone sulfate
C19H28O5S (368.16573580000005)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D000728 - Androgens A steroid sulfate that is testosterone substituted by a sulfoxy group at position 17.
3-β-hydroxyandrost-5-en-17-one sulfate
C19H28O5S (368.16573580000005)
4-Hydroxy-3-prenylbenzoic acid glucoside
Methyl (R)-9-hydroxy-10-undecene-5,7-diynoate glucoside
Kanzonol P
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, methoxy groups at position 1 and 3 and a prenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.
(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]
C15H28O10 (368.16823880000004)
Vobasine N4-oxide
Longilactone, delta-4(18)-Isomer, 2alpha-alcoho
hbas#9
tert-butyl 4-(cyanomethyl)-4-(4-Methylphenyl)piperidine-1-carbox
diethyl 2-(3-oxo-1,3-diphenyl-propyl)propanedioate
Benzamide, N-[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
1H-Imidazole-4-propanol, 1-(triphenylmethyl)-
C25H24N2O (368.18885339999997)
N-(2,4-dimethylphenyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide
C19H20N4O4 (368.14844800000003)
4-(3-CARBAMOYL-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(4-CARBAMOYL-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
N-benzyloxymethyl-5-(2-cyano-pyridin-4-yl)-3-(pyridin-4-yl)-1,2,4-triazole
C21H16N6O (368.13855259999997)
SB 239063
C20H21FN4O2 (368.16484579999997)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
(DIOXALAN-2-YL-METHYL)-TRIBUTYLPHOSPHONIUM BROMIDE
(s)3-(9h-fluoren-9-ylmethoxycarbonylamino)-succinamic acid methyl ester
4S-4-Dibenzylamino-3-oxo-5-phenylpentanonitrile
C25H24N2O (368.18885339999997)
TERT-BUTYL(3-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)DIMETHYLSILANE
C18H30BClO3Si (368.17456899999996)
3-(3-CARBAMOYL-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(4-CARBAMOYL-BENZENESULFONYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(4-benzhydrylpiperazin-1-yl)ethanol,dihydrochloride
BMS-690514
C19H24N6O2 (368.19606439999995)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
2-[N-ethyl-4-[(4-nitrophenyl)diazenyl]anilino]ethyl prop-2-enoate
C19H20N4O4 (368.14844800000003)
cyc-116
tert-Butyl 5-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
tert-Butyl 6-cyano-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyethyl)-N-(phenylmethyl)- (9CI)
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone,hydrochloride
C19H17ClD6N2OS (368.159616868)
(2s,5r)-5-((phenylmethoxy)amino)-2-piperidinecarboxylic acid ethyl ester ethanedioate
4-(6-acryloxyhexyloxy)-[1,1-biphenyl]-4-carboxylic acid
3-[(Aminoiminomethyl)amino]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine
C19H20N4O4 (368.14844800000003)
METHYL 2-(BENZYLOXY)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
Arildone
C20H29ClO4 (368.17542640000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent
N-[(3Z)-5-Tert-butyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene]-N-(4-chlorophenyl)urea
amphetamine sulfate
C18H28N2O4S (368.17696880000005)
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
(2S)-((6-O-(beta-D-apiofuranosyl)beta-D-glucopyranosyl)oxy)butane
C15H28O10 (368.16823880000004)
4-Amino-1-((4-(3-methoxyphenylamino)pyrrolo[1,2-f][1,2,4]triazin-5-yl)methyl)piperidin-3-ol
C19H24N6O2 (368.19606439999995)
3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide
1-(9H-carbazol-9-yl)-3-(quinolin-8-yloxy)propan-2-ol
N-(2-oxolanylmethyl)-2-[7-oxo-3-(phenylmethyl)-6-triazolo[4,5-d]pyrimidinyl]acetamide
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4,5,6,7-tetrahydro-2H-indazol-3-yl)methanone
2-(2-Phenyl-3-pyridin-2-YL-4,5,6,7-tetrahydro-2H-isophosphindol-1-YL)pyridine
Dextroamphetamine sulfate
C18H28N2O4S (368.17696880000005)
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators
3-Oxoandrost-4-en-17-yl hydrogen sulfate
C19H28O5S (368.16573580000005)
3,4,8,14,15-Pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.02,7.012,16]hexadecan-11-one
N-[(3R)-6-(5,6-dihydropyridin-2-yl)-7-hydroxy-8-[(2E)-1-hydroxybut-2-en-1-yl]-2-oxo-1,5-oxathiocan-3-yl]acetamide
methyl (1R,10S,11S,12E,17S)-10-(dihydroxymethyl)-12-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,8-tetraene-10-carboxylate
(2R)-2-acetamido-3-[1-(2,3-dihydropyridin-6-yl)-2-hydroxy-2-[3-[(E)-prop-1-enyl]oxiran-2-yl]ethyl]sulfanylpropanoic acid
[(2R,10R,14S,15S)-2,15-dimethyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-14-yl]oxidanesulfonic acid
C19H28O5S (368.16573580000005)
methyl (2Z)-4-formyl-2-(hydroxymethylidene)-3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl)hex-5-enoate
trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Nitropyrrolin C
C19H29ClN2O3 (368.18665940000005)
A natural product found in Streptomyces speciesCNQ-509.
1-butyl-5-[1-[2-(1H-indol-3-yl)ethylamino]ethylidene]-1,3-diazinane-2,4,6-trione
7-(trimethylsilyl)-2,6-bis[(trimethylsilyl)oxy]-7H-purine
N-(3-methoxyphenyl)-2-(3-methoxypropyl)-1,3-dioxo-5-isoindolecarboxamide
N-[4-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]phenyl]-2-oxolanecarboxamide
(1R,5R,8S,16S,17S)-11,12-Dimethoxy-5-oxido-15-aza-5-azoniahexacyclo[13.4.2.01,16.05,16.08,17.09,14]henicosa-2,9,11,13-tetraen-21-one
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
N-[4-(phenoxymethyl)-2-thiazolyl]-1-adamantanecarboxamide
6-[[(2-chlorophenyl)methyl-methylamino]methyl]-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamide
1-[2-(3-Chloro-phenyl)-6,7-dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidin-8-yl]-piperidin-3-ol
N-butan-2-yl-4-[4-oxo-3-(phenylmethyl)-2-thiazolidinyl]benzamide
4-[cyclohexyl(methyl)amino]-N-(6-methyl-2-pyridinyl)-3-nitrobenzamide
5-(4-Morpholinoanilino)-5-oxo-3-phenylpentanoic acid
3,4-dimethoxy-N-[4-[oxo(1-piperidinyl)methyl]phenyl]benzamide
3-[4-(4-Butan-2-ylphenyl)sulfonyl-1-piperazinyl]butanoic acid
C18H28N2O4S (368.17696880000005)
2-[[4-(1-Pyrrolidinyl)-6-[2-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]ethanol
C16H19F3N6O (368.15723599999995)
(E)-3-(2,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]prop-2-enamide
N-(2-furanylmethyl)-N-methyl-6-(1-methyl-5-indolyl)-4-quinazolinamine
methyl (1R,9S,11S,14E,15S,17S)-14-ethylidene-19-(hydroxymethyl)-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Hoerhammericine
An Aspidosperma alkaloid with formula C21H24N2O4 found in Catharantheus lanceus. Note that the stereoconfiguration of the epoxy group is based on CHEBI:144374, and of the 19 hydroxy group on CHEBI:144372 (the same enzyme produces the two).
3-ethyl-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione
C17H19F3N4O2 (368.14600299999995)
N-[[(2S,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
(2S)-2-[(4R,5R)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
C18H28N2O4S (368.17696880000005)
N-[(2S,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[(2S,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[[(2S,3S,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3S,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2S,3R,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
(6R,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(2R)-2-[(4S,5S)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
C18H28N2O4S (368.17696880000005)
N-[(2R,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[(2S,3R,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[(2R,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[(2R,3S,6R)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[(2R,3R,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[(2S,3S,6S)-6-[2-[(3,5-difluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]propanamide
C18H22F2N2O4 (368.15475560000004)
N-[[(2S,3R,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2S,3S,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3R,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3S,4S)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2R,3S,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
N-[[(2R,3R,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
N-[[(2R,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
N-[[(2S,3S,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-propan-2-ylmethanesulfonamide
C18H28N2O4S (368.17696880000005)
methyl (1R,9S,10S,11S)-10-(hydroxymethyl)-6-oxo-12-(2-phenylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
methyl (1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-12-(2-phenylethyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
(1S,5R)-3-(4-methylphenyl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
(6S,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(2-cyclopropylethynyl)phenyl]-8-(hydroxymethyl)-4-(2-methoxy-1-oxoethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
bis{(2S)-1-phenylpropan-2-amine} sulfate
C18H28N2O4S (368.17696880000005)
3,4,5-Trihydroxy-6-[4-(4-methyl-3-oxopentyl)phenoxy]oxane-2-carboxylic acid
4-(4-Hydroxy-3,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carbonitrile
[(1R,2E,8S,10S,11S)-10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-2,6-dien-8-yl] acetate
methyl (1R,12S,13S,15R,20R)-12-[(1R)-1-hydroxyethyl]-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2,4,6,9-tetraene-10-carboxylate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) heptanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) octanoate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) nonanoate
(2S,3S,4S,8R,9S,13R,14R,15S,16R)-3,4,8,14,15-pentahydroxy-2,13,16-trimethyl-6-methylidene-10-oxatetracyclo[7.6.1.0(2),.0(1)(2),(1)]hexadecan-11-one
2,6-dimethoxy-4-[(E)-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]prop-1-enyl]phenolate;thiocyanic acid
methyl (1S,12S,13S,14R,15E,17S)-15-ethylidene-7-methoxy-17-oxido-3-aza-17-azoniapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4(9),5,7-tetraene-13-carboxylate
CB13
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
9-Hydroxy-4-(3,7-dimethyl-2,6-octadienyloxy)-psoralen
U50488
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(3R,20S)-19alpha-Methyl-2-oxoformosanan-16-carboxylic acid methyl ester
1,2-dihexanoyl-sn-glycero-3-phosphate
A 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as hexanoyl.
BisMePA(10:0)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
AZA1
AZA1 is a potent dual inhibitor of Rac1 and Cdc42. AZA1 induces prostate cancer cells apoptosis and inhibits prostate cancer cells proliferation, migration and invasion[1][2].
MRK-016
MRK-016 is a selective, orally bioavailable inverse agonist of GABAA α5 receptor, with an EC50 of 3 nM for GABAA α5, and Kis of 0.83, 0.85, 0.77?and 1.4?nM for human?GABAA?α1β3γ2, GABAA?α2β3γ2, GABAA?α3β3γ2, and GABAA?α5β3γ2, respectively; MRK-016 also readily penetrates the CNS.
(2r,3r)-3-chloro-3,7,11-trimethyl-1-(5-nitro-1h-pyrrol-3-yl)dodeca-6,10-dien-2-ol
C19H29ClN2O3 (368.18665940000005)
(2s)-5,7-dihydroxy-8-[(4s)-2-hydroxy-4,5,6,7-tetrahydro-3h-1,3-diazepin-4-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
methyl (12s,13s,15r,17s,19s)-13-acetyl-19-hydroxy-1,11-diazapentacyclo[13.3.1.0²,⁷.0⁸,¹⁸.0¹²,¹⁷]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
(1s,12s,13r,14s,15e,17s)-15-ethylidene-13-(hydroxymethyl)-13-(methoxycarbonyl)-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-17-ium-17-olate
1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl 2-methylpropanoate
6-chloro-2-hydroxy-7,10,11-trimethyl-4,14-dioxatetracyclo[7.4.1.0²,¹¹.0⁵,¹⁰]tetradec-7-en-12-yl but-2-enoate
methyl (1's,3r,4'as,5'as,10'ar)-2-hydroxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
methyl (1r,12s,19r)-5-hydroxy-12-[(1r)-1-hydroxyethyl]-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
methyl (1r,9r,11s,14z,15r,19s)-14-ethylidene-6-methoxy-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
(1r,4r,6s,8r,9s,10s,11s)-10-(acetyloxy)-6-formyl-9-isopropyl-1-methyl-5,12-dioxatricyclo[9.1.0.0⁴,⁶]dodecan-8-yl acetate
[(1r,3r)-1,3-diethoxy-7-(hydroxymethyl)-6-oxo-1h,3h,5h-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate
1,13-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.0⁴,⁸]tetradecan-9-yl 2-methylpropanoate
6-acetyl-16-hydroxy-1,5-dimethyl-13,18-dioxahexacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁵,²⁰.0¹⁷,¹⁹]icosa-2(10),12(20),14-trien-11-one
5-(6-bromo-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpent-1-en-3-ol
C20H33BrO (368.17146280000003)
8,10-dimethoxy-2,5,5-trimethyl-3,4,4a,12b-tetrahydro-6-oxatetraphene-7,12-dione
methyl (1s,12r,15s,16r,18s)-16-ethyl-12-hydroxy-11-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (1'r,2r,3r,11'r,17's)-5'-methoxy-3-methyl-8',14'-diazaspiro[oxirane-2,12'-pentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadecane]-2',4',6',9'-tetraene-10'-carboxylate
methyl (1's,3s,5'as,10'as)-2-hydroxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
4-{[(1s,4r,6r,7r,8r,9r,13s)-6,9-dihydroxy-2,2,9-trimethyl-12-oxatetracyclo[6.3.2.0¹,⁴.0⁵,¹³]tridecan-7-yl]oxy}-4-oxobutanoic acid
(1's,2'r,3s,7'r,9's)-6'-acetyl-6-methoxy-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
10,11-dihydroxy-6-(methoxymethyl)-1,10-dimethyl-5-oxo-4,14-dioxatricyclo[9.2.1.0³,⁷]tetradeca-2,6-dien-8-yl acetate
methyl 2-hydroxy-4'-methyl-4',4'a,5',6',8',9',10'a,10'b-octahydrospiro[indole-3,10'-pyrano[3,4-g]indolizine]-1'-carboxylate
(1r,10s)-3,5-dimethoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11,13,15-hexaen-14-ol
methyl 5-hydroxy-12-(1-hydroxyethyl)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6,9,13-pentaene-10-carboxylate
(10e)-4,5,10-trimethoxy-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,10,15,18-heptaen-12-one
methyl 5'-methoxy-3-methyl-8',14'-diazaspiro[oxirane-2,12'-pentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadecane]-2',4',6',9'-tetraene-10'-carboxylate
(2s)-5,7-dihydroxy-6-[(4s)-2-hydroxy-4,5,6,7-tetrahydro-3h-1,3-diazepin-4-yl]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(2r)-8-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-5,7-dimethoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(1r,5s,6s,9r,16r,17s,19r)-6-acetyl-16-hydroxy-1,5-dimethyl-13,18-dioxahexacyclo[10.7.1.0²,¹⁰.0⁵,⁹.0¹⁵,²⁰.0¹⁷,¹⁹]icosa-2(10),12(20),14-trien-11-one
4,5-dimethoxy-8,8-dimethyl-2-phenyl-2h,3h,4h-pyrano[3,2-g]chromen-3-ol
(2e)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-yl (2e)-dec-2-en-4,6-diynoate
2-butoxy-5-hydroxy-6-methyl-4-oxooxan-3-yl 2,4-dihydroxy-6-methylbenzoate
(1r,4s,4as,8s,11e,12as)-4-bromo-8-isopropyl-1,4a-dimethyl-7-methylidene-3,4,5,6,8,9,10,12a-octahydro-2h-benzo[10]annulen-1-ol
C20H33BrO (368.17146280000003)
(3as,4s,6s,10r,11s,11ar)-4,10-dihydroxy-6,10-dimethyl-3-methylidene-2,5-dioxo-octahydrocyclodeca[b]furan-11-yl 2-methylpropanoate
3-methoxy-4-[(4s,11s)-8-methoxy-4-(prop-1-en-2-yl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-trien-11-yl]phenol
8-(3-hydroxy-3-methylbut-1-en-1-yl)-5,7-dimethoxy-2-phenyl-2,3-dihydro-1-benzopyran-4-one
9-[hydroxy(4-hydroxy-3-methoxyphenyl)methyl]-3,11-diazatricyclo[6.5.1.0⁴,¹⁴]tetradeca-1,4,6,8(14),10-pentaene-7,10-diol
methyl (1's,2r,4'as,5'ar,10'as)-1'-methyl-3-oxo-1',4'a,5',5'a,7',8',10',10'a-octahydro-1h-spiro[indole-2,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
4-{[(1s,4r,5r,6r,7r,8r,9r,13s)-6,9-dihydroxy-2,2,9-trimethyl-12-oxatetracyclo[6.3.2.0¹,⁴.0⁵,¹³]tridecan-7-yl]oxy}-4-oxobutanoic acid
methyl (1s,9r,16r,17r,18r,21r)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
methyl (1r,9s,12s,13r,20s)-9-hydroxy-12-methyl-11-oxa-8,17-diazahexacyclo[11.6.1.1¹⁰,¹³.0¹,⁹.0²,⁷.0¹⁷,²⁰]henicosa-2,4,6,14-tetraene-10-carboxylate
methyl (1s,9r,16r,17s,18r,21r)-17,18-dihydroxy-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7,14-tetraene-18-carboxylate
methyl (1'r,3s,4'as,5'as,10'as)-2-hydroxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
(1r,10r)-5,13-dimethoxy-4-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2,4,6,11(16),12,14-hexaen-14-ol
methyl (1s,12s,15r,17s,18s)-17-ethyl-12-hydroxy-11-oxo-3,13-diazapentacyclo[13.3.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl 18-hydroxy-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10-triene-4-carboxylate
(2s)-2-hydroxy-2-{[(2e)-3-(methylsulfanyl)prop-2-enoyl]oxy}ethyl (2z,4e,11e)-trideca-2,4,11-trienoate
C19H28O5S (368.16573580000005)