Exact Mass: 396.18157440000004
Exact Mass Matches: 396.18157440000004
Found 500 metabolites which its exact mass value is equals to given mass value 396.18157440000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
9alpha-Fluoro-16alpha-hydroxyhydrocortisone
Zwittermicin A
The (+)-enantiomer of zwittermicin A. It is a water-soluble natural antibiotic from the fermentation of the soil-borne bacterium Bacillus cereus and shows significant activity against phytopathogenic fungi.
3beta-Hydroxypregn-5-en-20-one sulfate
3beta-Hydroxypregn-5-en-20-one sulfate is a metabolite of pregnenolone. Pregnenolone, also known as 3α,5β-tetrahydroprogesterone (3α,5β-THP), is an endogenous steroid hormone involved in the steroidogenesis of progestogens, mineralocorticoids, glucocorticoids, androgens, and estrogens, as well as the neuroactive steroids. As such it is a prohormone, though it also has biological effects of its own, behaving namely as a neuroactive steroid in its own right with potent anxiolytic effects. (Wikipedia) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
Benazeprilat
Benazeprilat is a metabolite of benazepril. Benazepril, brand name Lotensin, is a medication used to treat high blood pressure, congestive heart failure, and chronic renal failure. Upon cleavage of its ester group by the liver, benazepril is converted into its active form benazeprilat, a non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitor. (Wikipedia) D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
C20H24N6O3 (396.19097939999995)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Pregnenolone sulfate
Pregnenolone sulfate is a sulfated version of the steroid hormone known as pregnenolone. Pregnenolone sulfate belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton. Pregnenolone sulfate is a neurosteroid found in the brain and central nervous system. Pregnenolone sulfate is a metabolite synthesized from pregnenolone via sulfation. It is known to have cognitive and memory-enhancing, antidepressant, anxiogenic, and proconvulsant effects (PMID: 21094889). As a neurosteroid, pregnenolone sulfate modulates a variety of ion channels, transporters, and enzymes. Interestingly, as a sulfated steroid, pregnenolone sulfate is not the final- or waste-product of pregnenolone being sulfated via a phase II metabolism reaction and renally excreted, as one would presume from pharmacology textbook knowledge. Pregnenolone sulfate is also the source and thereby the starting point for subsequent steroid synthesis pathways. Recently, pregnenolone sulfate has been shown to not only be a modulator of ion channels, but it is also an activating ion channel ligand (PMID: 24084011). Pregnenolone sulfate, a neurosteroid, is a metabolite of Pregnenolone. It is found in the brain and central nervous system. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
(10S,11R)-Pterosin C 4-glucoside
(10S,11R)-Pterosin C 4-glucoside is found in green vegetables. (10S,11R)-Pterosin C 4-glucoside is isolated from Pteridium aquilinum (bracken fern). Isolated from Pteridium aquilinum (bracken fern). (10S,11R)-Pterosin C 4-glucoside is found in green vegetables and root vegetables.
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone is found in mushrooms. (S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). 8-(3,6-Dimethyl-2-heptenyl)-naringenin is found in mushrooms.
Pteroside P
Constituent of Pteridium aquilinum (bracken fern). Pteroside P is found in green vegetables and root vegetables. Pteroside P is found in green vegetables. Pteroside P is a constituent of Pteridium aquilinum (bracken fern).
1-(3-Methylbutanoyl)-6-apiosylglucose
C16H28O11 (396.16315380000003)
1-(3-Methylbutanoyl)-6-apiosylglucose is found in coffee and coffee products. 1-(3-Methylbutanoyl)-6-apiosylglucose is a constituent of green coffee beans (Coffea arabica). Constituent of green coffee beans (Coffea arabica). 1-(3-Methylbutanoyl)-6-apiosylglucose is found in coffee and coffee products.
4,5-Dihydroniveusin A
4,5-Dihydroniveusin A is found in fats and oils. 4,5-Dihydroniveusin A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 4,5-Dihydroniveusin A is found in sunflower and fats and oils.
(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone
(S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is found in fruits. (S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). (S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone is found in fruits.
Eremopetasitenin A2
C20H28O6S (396.16065080000004)
Eremopetasitenin A2 is found in green vegetables. Eremopetasitenin A2 is a constituent of Petasites japonicus (sweet coltsfoot) Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasitenin A2 is found in green vegetables.
(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone is found in herbs and spices.
fluticasone 17beta-carboxylic acid
fluticasone 17beta-carboxylic acid is a metabolite of fluticasone propionate. Fluticasone propionate is a corticosteroid derived from fluticasone used to treat asthma and allergic rhinitis (hay fever). It is also used to treat eosinophilic esophagitis. (Wikipedia)
1-Hexanol arabinosylglucoside
1-Hexanol arabinosylglucoside is found in pomes. 1-Hexanol arabinosylglucoside is a constituent of apples (Malus sylvestris) Constituent of apples (Malus sylvestris). 1-Hexanol arabinosylglucoside is found in malus (crab apple) and pomes.
1-[2-Amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
C20H24N6O3 (396.19097939999995)
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Lobetyolin
Mirabegron
2-(2-Amino-1H-benzo[d]imidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
Mocetinostat
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Dextran-70
Pradofloxacin
C21H21FN4O3 (396.15976079999996)
Tiaprost
C20H28O6S (396.16065080000004)
Lobetyolin
Unii-yjz71tro1X is a natural product found in Platycodon grandiflorus with data available. See also: Codonopsis pilosula root (part of). Lobetyolin, a bioactive compound, is derived from Codonopsis pilosula. Lobetyolin has anti-inflammatory, anti-oxidative and xanthine oxidase inhibiting activities. Lobetyolin also induces the apoptosis via the inhibition of ASCT2-mediated glutamine metabolism[1][2]. Lobetyolin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Lobetyolin, a bioactive compound, is derived from Codonopsis pilosula. Lobetyolin has anti-inflammatory, anti-oxidative and xanthine oxidase inhibiting activities. Lobetyolin also induces the apoptosis via the inhibition of ASCT2-mediated glutamine metabolism[1][2]. Lobetyolin is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. Lobetyolin, a bioactive compound, is derived from Codonopsis pilosula. Lobetyolin has anti-inflammatory, anti-oxidative and xanthine oxidase inhibiting activities. Lobetyolin also induces the apoptosis via the inhibition of ASCT2-mediated glutamine metabolism[1][2]. Lobetyolin is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
14,15β-dihydroxyklaineanone
14,15beta-Dihydroxyklaineanone is a natural product found in Eurycoma longifolia with data available.
Carmanin
Fukanemarin A
A hydroxycoumarin that is 4,7-dihydroxycoumarin substituted by a 1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effects on the production of nitric oxide (NO).
(-)-2beta-{(E)-3-Hydroxy-3-methylbut-1-enyl}-2-deoxybruceol
4,5-Dihydroniveusin A
methyl 2-[1-(4-fluorobenzyl)-1h-indole-3-carboxamido]-3,3-dimethylbutanoate
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
4-Hydroxycinnamoyl(E-)-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
1-beta-vicianosyl-(S)-2-methylbutyrate
C16H28O11 (396.16315380000003)
N-((-)-jasmonoyl)-S-tryptophan|N-<(-)-jasmonoyl>-S-tryptophan|N-Jasmonoyltryptophan
C23H28N2O4 (396.20489680000003)
1-acetyl-11-methoxy-17,18-epoxy-cura-2(16),19-diene-12,17-diol|2,16-Dehydro-henningsolin
2alpha-hydroxy-8beta-2,3,5-trihydroxyangeloyloxycostunolide
16,19-Secostrychnidine-10,16-dione, 21,22-epoxy-21,22-dihydro-14-hydroxy-19-methyl-, (21.alpha.,22.alpha.)-
methyl ester of 8alpha-(2-hydroxymethyl-2-butenoyloxy)-1beta,6alpha-dihydroxy-15-oxo-11(13)eudesmen-12-oic acid
10-(beta-D-glucopyranosyloxy)tetradeca-2,8-diene-4,6-diyne-1,14-diol|cordifolioidyne B
16R-19,20-E-Isositsirikine acetate
C23H28N2O4 (396.20489680000003)
1alpha,10beta,15-trihydroxy-3-oxo-8beta-O-methylbutanoyl-4,11(13)-germacradien, 6alpha,12-olide
2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-4(Z),7-nonadien-6-onyl]furo[3,2-c]coumarin|fukanefuromarin D
coryn-16-ene-5,16-dicarboxylic acid dimethyl ester|Methyl anhydrodirubine
C23H28N2O4 (396.20489680000003)
1beta-methoxy-3alpha-hydroxy-3,10beta-4,5alpha-diepoxy-8beta-isobutyroyloxy-germacra-11(13)-en-6alpha,12-olide
2alpha-isovaleryloxy-3,8-dioxo-11-peroxy-4beta,5beta,7,14-bis-epoxybisabol-9E-ene
(19E)-10,2xi-dimethoxy-(16alpha)-16,7-dihydro-2H-[1,4]oxazepino[4,5,6:1,2,16]-17-nor-cur-19-en-3-one|10-methoxy-tsilanine|10-Methoxytsilanin
C23H28N2O4 (396.20489680000003)
1beta-(E-cinnamoyloxy)-5alpha-hydroxypolygodial|1beta-E-cinnamoyl-5alpha-hydroxypolygodial
(19R)-1-acetyl-17,19-epoxy-10-methoxy-4-methyl-3,4-seco-cur-20-en-3-one|10-Methoxy-strychnobrasilin|10-methoxy-strychnobrasiline
C23H28N2O4 (396.20489680000003)
2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin|dihydro-7-hydroxy-2R*,3S*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]furo[3,2-c]coumarin
methyl-11,12-methylenedioxy-N(1)-decarbomethoxy-chanofruticosinate
jerantinine C
An indole alkaloid that is jerantinine A substituted with an oxo group at position 13. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
(2Z,8Z,12R)-tetradecadiene-4,6-diyne-1,12,14-triol-1-O-beta-D-glucopyranoside
yadanziolide T
A quassinoid that is picras-3-ene substituted by hydroxy groups at positions 1, 11, 12, 15 and 21 and oxo groups at positions 2 and 16. Isolated from the ethanol extract of the stem of Brucea mollis, it exhibits cytotoxic activity.
6beta,11alpha,16beta,17-tetrahydroxy-6,7-seco-6,20-epoxy-1alpha,7-olide-ent-kaur-15-one|jianshirubesin C
(1S,5R,8S,10R,11S,12S,13S)-5,8,11,12-diepoxy-10,13-dihydroxy-1-isopropenyl-8-methyl-3,6-dioxocyclotetradecan-12-carboxylate|gyrosanin A
11-methoxy-1-methyl-3-oxo-vobasan-17-oic acid methyl ester|Ochropin
C23H28N2O4 (396.20489680000003)
3alpha,6beta,11beta,16beta-tetrahydroxy-6alpha,20-epoxy-6,7-seco-ent-kaur-15-one-1alpha,7-olide|sculponin P
2alpha,3alpha,10alpha,13alpha,16alpha,17-hexahydroxy-9alpha-methyl-15-oxo-20-nor-kauran-19-oic acid (19,10)-lactone|2??,3??,10??,13??,16??,17-Hexahydroxy-9??-methyl-15-oxo-20-nor-kauran-19-oic acid (19,10)-lactone
10-methoxyapoyohimbine|methyl 16,17-didehydro-10,11-dimethoxyyohimban-16-carboxylate
C23H28N2O4 (396.20489680000003)
(6E,12E)-tetradecadiene-8,10-diyne-1,14-diol-3-O-beta-D-glucopyranoside
(16R)-2,5alpha-epoxy-12-methoxy-17-oxo-(2alpha)-1,2-dihydro-akuammilane-16-carboxylic acid methyl ester|12-methoxy-picralinal|Vincarinin|vincarinine
(19S)-17,19-epoxy-(20alphaH)-coryn-16-ene-5beta,16-dicarboxylic acid 16-methyl ester|19alpha-methyl-(20alpha)-18-oxa-yohimb-16-ene-5beta,16-dicarboxylic acid 16-methyl ester|5Alpha-Carboxytetrahydroalstonin
2(R),3(R)-pterosin L 3-O-alpha-L-arabinopyranoside
(1S,5S,6R,7R,8R,9S,10S,11R)-8,9-epoxy-1-hydroxy-2-oxo-5-angeloxyxanthan-6,12-olide
7-[6-(beta-carboxyethyl)-4-isopropenyl-2,6-dimethylcyclohex-2-enylmethyloxy]coumarin
(-)-Fumaricine|(Z)-fumaridine|3-[(Z)-6-(2-dimethylamino-ethyl)-benzo[1,3]dioxol-5-ylmethylene]-6,7-dimethoxy-2,3-dihydro-isoindol-1-one|3-[(Z?)-6-(2-Dimethylamino-aethyl)-benzo[1,3]dioxol-5-ylmethylen]-6,7-dimethoxy-isoindolin-1-on|3-[(Z?)-6-(2-dimethylamino-ethyl)-benzo[1,3]dioxol-5-ylmethylene]-6,7-dimethoxy-isoindolin-1-one|3-[6-(2-Dimethylamino-aethyl)-benzo[1,3]dioxol-5-ylmethylen]-6,7-dimethoxy-isoindolin-1-on|3-[6-(2-dimethylamino-ethyl)-benzo[1,3]dioxol-5-ylmethylene]-6,7-dimethoxy-isoindolin-1-one|Fumaridine
2alpha,9alpha-dihydroxydivaricatolide-8-O-angelate
Tri(trimethylsilyl)-caffeinsaeure|Tris(?)-trimethylsilylcaffeinsaeure
dihydroprecondylocarpine acetate (enamine form)
C23H28N2O4 (396.20489680000003)
Tox21_303565
C20H29ClN2O4 (396.18157440000004)
Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
14,15 β-Dihydroxyklaineanone
14,15beta-Dihydroxyklaineanone is a natural product found in Eurycoma longifolia with data available.
Quinine hydrochloride dihydrate
C20H29ClN2O4 (396.18157440000004)
Quinine hydrochloride dihydrate (Qualaquin) is an orally active and can be used in anti-malarial studies. Quinine hydrochloride dihydrate is a potassium channel inhibitor that inhibits WT mouse Slo3 (KCa5.1) channel currents evoked by voltage pulses to +100?mV with an IC50 of 169 μM[1][2].
Mirabegron
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Mirabegron is a selective β3-adrenoceptor agonist with EC50 of 22.4 nM.
MLS002154212-01!Canrenoic acid potassium salt2181-04-6
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
2-[6-(3,4-dihydroxy-2-methylidenebutanoyl)oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid
(2S,3S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based: Match]
(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one [IIN-based on: CCMSLIB00000846372]
CI-1018
CONFIDENCE standard compound; INTERNAL_ID 1217; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 1217; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8921 CONFIDENCE standard compound; INTERNAL_ID 1217; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8935; ORIGINAL_PRECURSOR_SCAN_NO 8933 CONFIDENCE standard compound; INTERNAL_ID 1217; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8956; ORIGINAL_PRECURSOR_SCAN_NO 8954 CONFIDENCE standard compound; INTERNAL_ID 1217; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8964; ORIGINAL_PRECURSOR_SCAN_NO 8961 CONFIDENCE standard compound; INTERNAL_ID 1217; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8965; ORIGINAL_PRECURSOR_SCAN_NO 8963
pregnenolone sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3]. Pregnenolone monosulfate (3β-Hydroxy-5-pregnen-20-one monosulfate) is a powerful neurosteroid, the main precursor of various steroid hormones including steroid ketones. Pregnenolone monosulfate acts as a signaling-specific inhibitor of cannabinoid CB1 receptor, inhibits the effects of tetrahydrocannabinol (THC) that are mediated by the CB1 receptors. Pregnenolone monosulfate can protect the brain from cannabis intoxication[1][2]. Pregnenolone monosulfate is also a TRPM3 channel activator, and also can weakly activate TRPM1 channels[3].
(2S,3S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadec-5-ene-4,11-dione
Ala Gly Ser Tyr
Ala Gly Tyr Ser
Ala Ser Gly Tyr
Ala Ser Tyr Gly
Ala Tyr Gly Ser
Ala Tyr Ser Gly
benazeprilat
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Phe Gly Ser Ser
Phe Ser Gly Ser
Phe Ser Ser Gly
Gly Ala Ser Tyr
Gly Ala Tyr Ser
Gly Phe Ser Ser
Gly Gly Thr Tyr
Gly Gly Tyr Thr
Gly His Pro Ser
Gly His Ser Pro
Gly Pro His Ser
Gly Pro Ser His
Gly Ser Ala Tyr
Gly Ser Phe Ser
Gly Ser His Pro
Gly Ser Pro His
Gly Ser Ser Phe
Gly Ser Tyr Ala
Gly Thr Gly Tyr
Gly Thr Tyr Gly
Gly Tyr Ala Ser
Gly Tyr Gly Thr
Gly Tyr Ser Ala
Gly Tyr Thr Gly
His Gly Pro Ser
His Gly Ser Pro
His Pro Gly Ser
His Pro Ser Gly
His Ser Gly Pro
His Ser Pro Gly
Pro Gly His Ser
Pro Gly Ser His
Pro His Gly Ser
Pro His Ser Gly
Pro Pro Pro Ser
Pro Pro Ser Pro
Pro Ser Gly His
Pro Ser His Gly
Pro Ser Pro Pro
Ser Ala Gly Tyr
Ser Ala Tyr Gly
Ser Phe Gly Ser
Ser Phe Ser Gly
Ser Gly Ala Tyr
Ser Gly Phe Ser
Ser Gly His Pro
Ser Gly Pro His
Ser Gly Ser Phe
Ser Gly Tyr Ala
Ser His Gly Pro
Ser His Pro Gly
Ser Pro Gly His
Ser Pro His Gly
Ser Pro Pro Pro
Ser Ser Phe Gly
Ser Ser Gly Phe
Ser Tyr Ala Gly
Ser Tyr Gly Ala
Thr Gly Gly Tyr
Thr Gly Tyr Gly
Thr Tyr Gly Gly
Tyr Ala Gly Ser
Tyr Ala Ser Gly
Tyr Gly Ala Ser
Tyr Gly Gly Thr
Tyr Gly Ser Ala
Tyr Gly Thr Gly
Tyr Ser Ala Gly
Tyr Ser Gly Ala
Tyr Thr Gly Gly
10,11-epoxy-chlorovulone I
C21H29ClO5 (396.17034140000004)
Eremopetasitenin A2
C20H28O6S (396.16065080000004)
1-Hexanol arabinosylglucoside
Pteroside P
(10S,11R)-Pterosin C 4-glucoside
(3'x,5'a,9'x,10'b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
1-(3-Methylbutanoyl)-6-apiosylglucose
C16H28O11 (396.16315380000003)
(S)-(E)-2'-(3,6-Dimethyl-2-heptenyl)-3',4',7-trihydroxyflavanone
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4',5,7-trihydroxyflavanone
2.4.4.6-Tetramethylether-3-prenylchalcone
10,11-epoxy-chlorovulone I
C21H29O5Cl (396.17034140000004)
1-PHENYL-2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
C25H25BN2O2 (396.20089799999994)
Methyl 3-(1-Tritylimidazol-4-yl) Propionate
C26H24N2O2 (396.18376839999996)
Toceranib
C22H25FN4O2 (396.19614419999994)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
4-(1-TRITYL-1H-IMIDAZOL-4-YL)-BUTYRIC ACID
C26H24N2O2 (396.18376839999996)
1,3-Phenylenebis(2,2-propanediyl-4,1-phenylene) dicyanate
C26H24N2O2 (396.18376839999996)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-chlorophenyl)-N-cyclohexyl- (9CI)
1-BOC-3-[1-(4-FLUORO-BENZYL)-1H-BENZOIMIDAZOL-2-YLAMINO]-AZETIDINE
C22H25FN4O2 (396.19614419999994)
N,N-Bis[[4-(2-propen-1-yloxy)phenyl]methylene]-1,4-benzenediamine
C26H24N2O2 (396.18376839999996)
7-Benzyloxy-6-methoxy-3-[(pivaloyloxy)methyl]-3,4-dihydroquinazolin-4-one
LGK 974
D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
1,4-bis[(4-methoxyphenyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
C23H28N2O4 (396.20489680000003)
Succinylcholine Chloride Dihydrate
D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents > D009466 - Neuromuscular Blocking Agents
4-[[1-[(4-FLUOROPHENYL)-METHYL]-1H-BENZIMIDAZOLE-2-YL]AMINO]-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
C22H25FN4O2 (396.19614419999994)
Methyl 4-(2-(3-((dimethylamino)Methyl) benzofuran-2-carboxamido)ethoxy)benzoate
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(4-fluorophenyl)- (9CI)
2-Deoxy-3,5-bis-O-[(1,1-dimethylethyl)dimethylsilyl]-2,2-difluoro-L-erythro-pentonic acid γ-lactone
(1R)-2-{[2-(4-Aminophenyl)ethyl]amino}-1-phenylethyl (2-amino-1,3-thiazol-4-yl)acetate
5-Amino-5-deoxy-2,3-O-(1-methylethylidene)-N-(phenylmethyl)adenosine
C20H24N6O3 (396.19097939999995)
4-[[6-[(1-Oxo-2-propenyl)oxy]hexyl]oxy]benzoic acid 4-ethylphenyl ester
bis[tris(hydroxyethyl)ammonium] sulphate
C12H32N2O10S (396.17775720000003)
1H-Benzimidazole-1-acetamide,N-(1,1-dimethylethyl)-2-[[2-oxo-2-(phenylamino)ethyl]thio]-(9CI)
4-(N,N-DIETHYL)-2-METHYL-P-PHENYLENEDIAMINEMONOHYDROCHLORIDE
C23H28N2O4 (396.20489680000003)
Pradofloxacin
C21H21FN4O3 (396.15976079999996)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
PF-04620110
PF-04620110 is a potent, selective and orally bioavailable diglyceride acyltransferase-1 (DGAT-1) inhibitor with an IC50 of 19 nM[1].
N-(4-Phenoxyphenyl)-2-[(Pyridin-4-Ylmethyl)amino]nicotinamide
[3-Amino-4-(methoxymethyl)-6-methyl-2-thieno[2,3-b]pyridinyl]-(4-phenyl-1-piperazinyl)methanone
(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylic acid
4-Pyridinecarboxamide, N-((3R)-3,4,6,7-tetrahydro-9-methyl-4-oxo-1-phenylpyrrolo(3,2,1-jk)(1,4)benzodiazepin-3-yl)-
N-(Tert-butyl)-3,5-dimethyl-N-[(5-methyl-2,3-dihydro-1,4-benzodioxin-6-YL)carbonyl]benzohydrazide
C23H28N2O4 (396.20489680000003)
(2r)-3-(Phosphonooxy)propane-1,2-Diyl Diheptanoate
C17H33O8P (396.19129480000004)
(6e,11e)-Heptadeca-6,11-Diene-9,9-Diylbis(Phosphonic Acid)
6-Carbamimidoyl-2-[2-hydroxy-5-(3-methoxy-phenyl)-indan-1-YL]-hexanoic acid
C23H28N2O4 (396.20489680000003)
Mocetinostat
D004791 - Enzyme Inhibitors > D056572 - Histone Deacetylase Inhibitors C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Potassium canrenoate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D045283 - Natriuretic Agents > D004232 - Diuretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3,12,13,15,16-Pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
2-Hexoxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxane-3,4,5-triol
methyl (5E,6S,7S)-7-(acetoxymethyl)-5-ethylidene-1,4,5,6,7,8-hexahydro-2H-3,6-ethanoazonino[5,4-b]indole-7-carboxylate
C23H28N2O4 (396.20489680000003)
methyl (1S,2S)-2-(acetyloxymethyl)-16-ethyl-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9,15-pentaene-2-carboxylate
C23H28N2O4 (396.20489680000003)
2-[(4Z,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
2-[[3,5-Dihydroxy-4-methoxy-6-(methoxymethyl)oxan-2-yl]methoxymethyl]-6-ethyloxane-3,4,5-triol
Fukanefuromarin A
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione
Fukanefuromarin C
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
Fukanefuromarin B
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
(2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO).
Fukanefuromarin D
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO).
(2S*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin
A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-3(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO).
(4-Ethoxyphenyl)-[4-[(4-ethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]methanone
C23H28N2O4 (396.20489680000003)
4-Hydroxy-2-oxo-1-propyl-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
2-(1-ethyl-4-oxo-3-furo[3,4]pyrrolo[3,5-c][1,2,4]triazinyl)-N-[4-(2-furanyl)butan-2-yl]propanamide
3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]quinazoline-2,4(1H,3H)-dione [R-(R*,R*)]-tartrate
2-(3-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
C25H24N4O (396.19500139999997)
1,3,8-Trimethyl-5,10-diphenylpyrimido[1,2]pyrrolo[4,5-b]pyridazine-2,4-dione
[4-(2,7-Dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-1-piperazinyl]-(2-furanyl)methanone
N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
6-[4-[4-(phenylmethyl)-1-piperazinyl]-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
C25H24N4O (396.19500139999997)
2-(4-methylphenyl)-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine
C25H24N4O (396.19500139999997)
7-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-3,4-dihydro-2H-[1,3]thiazino[3,2:1,2]pyrimido[5,4-b]indol-6(7H)-one
N-[2-(cyclohexylamino)-1-(2-furanyl)-2-oxoethyl]-N-(2-furanylmethyl)-2-furancarboxamide
[5-[(4-Methoxy-1-naphthalenyl)oxymethyl]-3-isoxazolyl]-(4-methoxy-1-piperidinyl)methanone
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]hexanoic acid
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
3-(2-methylpropyl)-6-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1H-pyrimidine-2,4-dione
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
C23H28N2O4 (396.20489680000003)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
2-[(3R,6aS,8R,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
2-[(3S,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
2-[(3S,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
2-[(3R,6aR,8R,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
(2S)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C19H28N2O5S (396.17188380000005)
(2S)-2-[(4R,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C19H28N2O5S (396.17188380000005)
(2R)-2-[(4S,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C19H28N2O5S (396.17188380000005)
(2R)-4-[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
C19H28N2O5S (396.17188380000005)
(2S)-4-[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-3-butyn-2-ol
C19H28N2O5S (396.17188380000005)
2-[(2S,3R,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
2-[(2S,3S,6R)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
2-[(2S,3S,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5R,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]acetamide
C19H28N2O5S (396.17188380000005)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
2-[(3S,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
(2S)-2-[(4S,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C19H28N2O5S (396.17188380000005)
(2S)-2-[(4R,5S)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C19H28N2O5S (396.17188380000005)
(2R)-2-[(4R,5R)-8-(3-methoxyprop-1-ynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C19H28N2O5S (396.17188380000005)
2-[(2R,3S,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,3S,6R)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,3R,6S)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,3R,6R)-3-[[anilino(oxo)methyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(2-pyridinylmethyl)acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]acetamide
C19H28N2O5S (396.17188380000005)
N-[[(2S,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
C23H28N2O4 (396.20489680000003)
N-[[(2R,3S,4R)-1-acetyl-4-(hydroxymethyl)-3-(4-phenylphenyl)-2-azetidinyl]methyl]-2-methoxy-N-methylacetamide
C23H28N2O4 (396.20489680000003)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
C23H28N2O4 (396.20489680000003)
[(2S,3S)-1-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
[(2S,3R)-1-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]propan-1-one
(S)-[(2S,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
C20H29ClN2O4 (396.18157440000004)
Aspidospermidine-3-carboxylic acid, 20-(acetyloxy)-2,3-didehydro-, methyl ester, (5alpha,12beta,19alpha,20R)-
C23H28N2O4 (396.20489680000003)
(2R,3R,4S,5S,6R)-2-[(4Z,6R,7R,12E)-1,6-dihydroxytetradeca-4,12-dien-8,10-diyn-7-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
3-O,5-O-diethyl 4-O-[2-oxo-2-(propan-2-ylamino)ethyl] 2,6-dimethyl-3,4-dihydropyridine-3,4,5-tricarboxylate
dimethyl (1R,16R,18R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
C23H28N2O4 (396.20489680000003)
methyl (1S,12S,19S)-12-(1-acetyloxyethyl)-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
C23H28N2O4 (396.20489680000003)
(2S,3S,9R,12R,13R,14S,15R,16R,17S)-3,12,13,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-5-ene-4,11-dione
dimethyl (1R,16R,21S)-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
C23H28N2O4 (396.20489680000003)
(1-Acetyloxy-3-phosphonooxypropan-2-yl) dodecanoate
C17H33O8P (396.19129480000004)
2-[6-(3,4-Dihydroxy-2-methylidenebutanoyl)oxy-4-ethenyl-2-hydroxy-3-(3-hydroxyprop-1-en-2-yl)-4-methylcyclohexyl]prop-2-enoic acid
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) octanoate
C17H33O8P (396.19129480000004)
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) nonanoate
C17H33O8P (396.19129480000004)
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) undecanoate
C17H33O8P (396.19129480000004)
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) decanoate
C17H33O8P (396.19129480000004)
methyl (E)-2-[(3R,12bS)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
C23H28N2O4 (396.20489680000003)
O-acetyl-15alpha-stemmadenine
C23H28N2O4 (396.20489680000003)
An acetate ester resulting from the formal condensation of the hydroxy group of 15alpha-stemmadenine with the carboxy group of acetic acid.
(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone
2-(2-Amino-1H-benzo[d]imidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
(S)-(E)-8-(3,6-Dimethyl-2-heptenyl)-4,5,7-trihydroxyflavanone
(S)-(E)-2-(3,6-Dimethyl-2-heptenyl)-3,4,7-trihydroxyflavanone
9alpha-Fluoro-16alpha-hydroxyhydrocortisone
4,8-diamino-N-[1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamide
phosphatidic acid 14:0
C17H33O8P (396.19129480000004)
A phosphatidic acid in which the two acyl groups contain a total of 14 carbons and no double bonds.
N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N5,N5-dimethyl-L-glutamine
N2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N5,N5-dimethyl-L-glutamine is a glutamine derivative[1].
(3r)-8-benzoyl-5-methoxy-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-1-benzopyran-3,7-diol
(12r,15s,16r,17r)-16-[(1e)-3-hydroxy-3-methylbut-1-en-1-yl]-11,11,15-trimethyl-6,10,19-trioxapentacyclo[13.3.1.0²,⁷.0⁹,¹⁸.0¹²,¹⁷]nonadeca-1,3,7,9(18)-tetraen-5-one
6,6,9a-trimethyl-1-oxo-3h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-5-yl 3-(4-hydroxyphenyl)prop-2-enoate
1-{9,14-dihydroxy-8-methoxy-15-oxa-1,11-diazahexacyclo[16.3.1.0⁴,¹².0⁴,²¹.0⁵,¹⁰.0¹³,¹⁹]docosa-5,7,9,12,17-pentaen-11-yl}ethanone
(2s,3r)-2-(4,8-dimethyl-6-oxonona-4,7-dien-1-yl)-7-hydroxy-2,3-dimethyl-3h-furo[2,3-b]chromen-4-one
n-{3-[(3s,5r,8r,9r)-9-hydroxy-8-(2-hydroxy-4-iminopyrimidin-1-yl)-2-(hydroxyimino)-1,7-dioxa-4-azaspiro[4.5]decan-3-yl]propyl}guanidine
4,7-dihydroxy-3-[(2r,3e,6e)-3,7,11-trimethyl-9-oxododeca-3,6,10-trien-2-yl]chromen-2-one
methyl 2-{13-formyl-8-methyl-12-oxo-11-oxa-8,16-diazapentacyclo[7.4.3.2¹⁰,¹³.0¹,⁹.0²,⁷]octadeca-2,4,6-trien-17-yl}but-2-enoate
(2r,3r,4s,5s,6r)-2-{[(2e,8z,12r)-12,14-dihydroxytetradeca-2,8-dien-4,6-diyn-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-{3-[(1r,4r,6r,9r)-6-hydroxy-9-(2-hydroxy-4-iminopyrimidin-1-yl)-3-(hydroxyimino)-2,8-dioxa-5-azabicyclo[4.3.1]decan-4-yl]propyl}guanidine
(2s)-5-(hydroxymethyl)-2,7-dimethyl-6-(2-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl)-2,3-dihydroinden-1-one
(1r,2s,3s,7s,9r,12r,13s,14s,15s,16r,17r)-3,12,14,15,16-pentahydroxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-5-ene-4,11-dione
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl (2s)-2-methylbutanoate
C16H28O11 (396.16315380000003)
methyl 7-[1-chloro-4-hydroxy-4-(oct-2-en-1-yl)-2-oxo-6-oxabicyclo[3.1.0]hexan-3-ylidene]hept-5-enoate
C21H29ClO5 (396.17034140000004)
(1r,5s,8r)-1,3,5-trimethyl-2,8-bis[(3e,5e)-2-oxohepta-3,5-dien-1-yl]-6-oxabicyclo[3.2.1]oct-2-ene-4,7-dione
(3s,6r)-3-({4-[(2r)-2,3-dihydroxy-3-methylbutoxy]phenyl}methyl)-1,4-dimethyl-6-(methylsulfanyl)piperazine-2,5-dione
C19H28N2O5S (396.17188380000005)