Exact Mass: 412.20970719999997
Exact Mass Matches: 412.20970719999997
Found 500 metabolites which its exact mass value is equals to given mass value 412.20970719999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bisindolylmaleimide i
C25H24N4O2 (412.18991639999996)
3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate
GF 109203X
C25H24N4O2 (412.18991639999996)
D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Isopentyl gentiobioside
Isopentyl gentiobioside is found in garden tomato. Isopentyl gentiobioside is a constituent of tomato cell cultures (Lycopersicon esculentum). Constituent of tomato cell cultures (Lycopersicon esculentum). Isopentyl gentiobioside is found in garden tomato.
Austalide K
Austalide K is a mycotoxin of the food storage mould (Aspergillus ustus Mycotoxin of the food storage mould (Aspergillus ustus)
Abscisic alcohol 11-glucoside
Abscisic alcohol 11-glucoside is found in fruits. Abscisic alcohol 11-glucoside is a constituent of quince (Cydonia oblonga) fruit. Constituent of quince (Cydonia oblonga) fruit. Abscisic alcohol 11-glucoside is found in fruits.
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is found in alcoholic beverages. 5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one is a constituent of hops
Adapalene
Adapalene is a topical retinoid primarily used in the treatment of acne and is also used (off-label) to treat keratosis pilaris as well as other skin conditions. It is currently marketed by Galderma under the trade names Differin in some countries, and Adaferin in India. [Wikipedia] D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
17-Hydroxypregnenolone sulfate
17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids (Wikipedia). 17-Hydroxypregnenolone sulfate is a precursor steroid. 17-Hydroxypregnenolone is a C21 steroid that is obtained by hydroxylation of pregnenolone at the C17 alpha position.17-Hydroxypregnenolone is considered a prohormone in the formation of dehydroepiandrosterone (DHEA), itself a prohormone of the sex steroids [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Deoxypyridinoline
Deoxypyridinoline (DPD) is a breakdown product of type I fibrillar collagen, it occurs mainly in Type I collagen of bone. DPD shows a high specificity for bone, and the measurement of urinary DPD is not influenced by newly collagens and dietary intake. DPD cross-links of type 1 collagen are excreted in urine either as free or peptide-bound moieties. It is the peptide-bound cross-links that decrease by the greatest amount in response to bisphosphonate therapy. DPD is one of the most extensively characterized biochemical bone markers, but the interpretation of results is hampered by biologic and other preanalytical variability. Biochemical bone markers can provide a valuable tool in the management of metabolic bone diseases. Their most recognized application in clinical practice is for monitoring treatment for osteoporosis as an adjunct to bone mineral density measurements. Other applications that have been investigated include their use as a diagnostic tool for bone diseases other than osteoporosis and as predictive markers for bone loss and the risk of bone fracture. DPD measured in urine follow a circadian or diurnal cycle with a peak in the early morning and nadir in the late afternoon to early evening. The magnitude of the diurnal change, i.e., nadir concentration divided by peak concentration, expressed as a percentage is around 70\\% (range, 53-75\\%). (PMID: 11805003, 17229003, 16751696). Derived from collagen cross-links formed between adjacent lysine residues in type I collagen of bone and dentine. Released into serum during bone resorption
Cinalukast
C23H28N2O3S (412.18205380000006)
Used in the treatment of asthma, cinalukast selectively antagonizes leukotriene D4 (LTD4) at the cysteinyl leukotriene receptor, CysLT1, in the human airway. Cinalukast inhibits the actions of LTD4 at the CysLT1 receptor, preventing airway edema, smooth muscle contraction, and enhanced secretion of thick, viscous mucus. C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Trandolapril-d5 Diketopiperazine
Trandolapril-d5 Diketopiperazine is a metabolite of trandolapril. Trandolapril is an ACE inhibitor used to treat high blood pressure, it may also be used to treat other conditions. It is marketed by Abbott Laboratories with the brand name Mavik. (Wikipedia)
17-Hydroxypregnenolone 3-sulfate
Brucein E
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
Lanabecestat
6-(2,6-Dimethoxypyridin-3-yl)-9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
Rhomellose
3-[5-[(Dipropylamino)methyl]-1,2,4-oxadiazol-3-yl]-8-fluoro-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
C21H25FN6O2 (412.20229219999993)
(2S)-5-(Diaminomethylideneamino)-2-[[2-(2,2-diphenylethoxy)acetyl]amino]pentanoic acid
3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
C23H28N2O3S (412.18205380000006)
Sonchuside C
Sonchuside c belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Sonchuside c is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Sonchuside c can be found in chicory, which makes sonchuside c a potential biomarker for the consumption of this food product.
Trachyspic acid
An oxaspiro compound that is 1,6-dioxaspiro[4.4]non-2-en-4-one substituted by a carboxymethyl group at position 2, carboxy groups at positions 2 and 3, an oxo group at position 9 and a nonyl group at position 8. Isolated from the culture broth of the fungus Talaromyces trachyspermus, it exhibits inhibitory activity against the enzyme heparanase.
3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Penicitrinol B
A furopyranoxanthene with formula C24H28O6. It is a natural product isolated from the fungus Penicillium citrinum B-57. D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(-)-2beta-(2zeta-Hydroxy-3-methyl-1-oxobutyl)-2-deoxybruceol
(-)-2beta-{(E)-3-Hydroperoxy-3-methylbut-1-enyl}-2-deoxybruceol
(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol
methyl galbanate
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
N-Methylcheilanthifoline-7-O-glucoside
C24H30NO5+ (412.21238700000004)
Bm 567
C18H28N4O5S (412.17803180000004)
4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Gardneramine
A natural product found in Gardneria ovata. Annotation level-1 (1R,3Z,4R,4aS,11bR,12aS,13S)-3,4,4a,5,12,12a-Hexahydro-8,10,11-trimethoxy-3-(2-methoxyethylidene)-4,1,11b-ethanylylidene-2H-pyrido[2′,3′:5,6]oxepino[2,3-b]indole. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=34274-91-4 (retrieved 2024-08-14) (CAS RN: 34274-91-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
(1RS,2RS,7E)-2,9-dihydroxy-1-[(1E)-5-hydroxypent-1-en-1-yl]non-7-ene-3,5-diyn-1-yl beta-D-glucopyranoside|cordifolioidyne A|threo-9-(beta-D-glucopyranosyloxy)tetradeca-2,10-diene-4,6-diyne-1,8,14-triol
(1S,4E,5S,6R,6aS,11aR)-6-[(acetyloxy)methyl]-4-ethylidene-1,2,3,4,5,6-hexahydro-11a,6a-(epoxyethano)-1,5-methano-11H-azocino[3,4-b]indole-6-carboxylic acid methyl ester|17-O-acetylaspidodasycarpine|aspidophylline B
(3R)-3-beta-D-glucopyranosyloxy-5-phenylvaleric acid n-butyl ester
12,13-dimethoxy-19-oxo-ibogamine-18-carboxylic acid methyl ester|19-Oxo-conopharyngin
1beta-hydroxy-15-O-(p-methoxyphenylacetyl)-5alpha-6betaH-eudesma-3,11(13)-dien-12,6alpha-olide
(2E)-N-(4-aminobutyl)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]prop-2-enamide|N-(4-aminobutyl)caffeamide 3-beta-D-glucopyranoside|paucine 3-beta-D-glucopyranoside
11beta,13-dihydrocostunolide-14-O-beta-D-glucopyranoside
6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin
(5beta)-17-O-deacetyl-5,11-dimethoxyakuammiline|methyl (5beta,15alpha,16R,19E)-17-hydroxy-5,11-dimethoxyakuammilan-16-carboxylate
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(1-oxo-2-hydroxy-3-methylbutyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
(1R,7R,10S)-11-hydroxyguai-4-ene-3,8-dione beta-D-glucopyranoside
(4S,7R)-7-[(1E,3E,5E,7E)-8-[(2S,3R,6S)-3,6-dihydro-3-hydroxy-3,6-dimethyl-2H-pyran-2-yl]nona-1,3,5,7-tetraen-1-yl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione|wortmannilactone H
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-2-O-beta-D-glucoside
3-((1E)-1,3-dimethylpent-1-enyl)-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho[2,3-c]pyran-9(8H)-one|3-<(1E)-1,3-dimethylpent-1-enyl>-8,10-dihydroxy-7-methoxy-8-(2-oxopropyl)-1H-naphtho<2,3-c>pyran-9(8H)-one
3S*-(2,4-dihydroxybenzoyl)-4R*,5S*-dimethyl-5-[4-methyl-5-(4-methyl-2-furyl)-3(E)-penten-1-yl]tetrahydro-2-furanone
2-alpha-O-beta-D-glucopyranosyl-5alpha,11alphaH-eudesma-4(15)-en-12,8beta-olide|2alpha-O-beta-D-glucopyranosyleudesm-4(15)-en-12,8beta-olide
(6S*,8aS*)-3,5,6,7,8,8a-hexahydro-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-3-oxo-naphthalen-1-yl beta-D-glucopyranoside|carandoside
1beta-O-beta-D-glucopyranosyl-5alpha,6betaH-eudesma-3-en-12,6alpha-olide
9,10,12,18-tetramethoxy-5,16-cyclo-corynoxa-16,19-dien-2-one
(9R,9aR)-3-hexanoyl-9-hydroxy-9a-methyl-9-(2-oxopropyl)-6-((E)-prop-1-enyl)-9,9a-dihydro-2H-furo[3,2-g]isochromen-2-one|monaphilol D
7alpha (H)-eudesmane-4,11(12)-diene-3-one-2beta-hydroxy-13-beta-D-glucopyranoside
1beta-O-(beta-D-glucopyranosyloxyl)-eudesma-4,11(13)-dien-12-oic acid|alatoside H
pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside
(1S,4S,5R,6R,9S)-13-O-beta-D-glucopyranosyl-13-hydroxyallocedra-2,11-dione
3??,6??,8??-Triacetoxy-4??,5??:1??,10??-diepoxygermacrane
3-O-acetyl-4,5-O-(3-methylvaleryl)-and (2-methylbutyryl)-shikimic acid methyl ester|3-O-acetyl-4,5-O-<3-methylvaleryl>-and <2-methylbutyryl>-shikimic acid methyl ester
12,13-dimethoxy-20-methyl-ibogamine-18-carboxylic acid methyl ester|12,13-Dimethoxycoronaridin
3beta-[(beta-D-glucopyranosyl)oxy]-11alphaH-eudesm-4(14)-en-12,8beta-olide
(19R)-1-acetyl-17,19-epoxy-12-hydroxy-11-methoxy-4-methyl-3,4-seco-cur-20-en-3-one|12-hydroxy-11-methoxy-strychnobrasiline|12-Hydroxy-11-methoxystrychnobrasilin|12-Hydroxy-11-methoxystrychnobrasiline
3-carboxy-2-(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-naphthalen-1-ylmethoxy)-pentanedioic acid|isocryptoporic acid I
Angeloyl-(6alpha,12betaH)-14,16-Epoxy-6-hydroxy-17-oxo-7,13(16),14-labdatrien-17,12-olide
nhatrangin A
D009676 - Noxae > D011042 - Poisons > D008235 - Lyngbya Toxins D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
(3,5-Di-tert.-butyl-4-hydroxy-benzyl)-beta-D-glucopyranosid-uronsaeure (?)|<3,5-Di-tert.-butyl-4-hydroxy-benzyl>-beta-D-glucopyranosid-uronsaeure (?)
1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial
1,2,3,4-tetrahydro-1alpha,2beta,7-trihydroxy-1beta,6-dimethyl-4beta-isopropylnaphthalene-1-O-beta-D-glucoside
(3S)-3-hydroxy-16-hydroxymethyl-1,4-dimethyl-1H-2alpha,4-cyclo-3,4;4,21-diseco-akuammilane-17,21-dioic acid 17->3-lactone 21-methyl ester|(E)-2-((1S)-4-hydroxymethyl-9,10-dimethyl-3-oxo-3,4-dihydro-9H-9at,4at-[1]azapropano-1r,4c-ethano-pyrano[3,4-b]indol-13syn-yl)-but-2-enoic acid methyl ester|Eripin|eripine
(2S)-3,3abeta,4,5-Tetrahydro-3alpha-(2-hydroperoxy-3-methyl-3-butenyl)-2,5,5-trimethyl-2beta,4beta-ethano-2H,9H-dipyrano[4,3,2-de:3,2-g][1]benzopyran-9-one
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranoside
9-OH-Risperidone
C22H25FN4O3 (412.1910591999999)
CONFIDENCE standard compound; INTERNAL_ID 1568
(S,E)-(2-(4,8-dimethylnona-3,7-dien-1-yl)-8-formyl-5-hydroxy-2-methyl-2H-chromen-7-yl)methyl acetate
Ala Glu Pro Pro
Ala His Ser Val
Ala His Val Ser
Ala Pro Glu Pro
Ala Pro Pro Glu
Ala Ser His Val
Ala Ser Val His
Ala Val His Ser
Ala Val Ser His
Cys Pro Pro Pro
C18H28N4O5S (412.17803180000004)
Glu Ala Pro Pro
Glu Pro Ala Pro
Glu Pro Pro Ala
Gly His Ile Ser
Gly His Leu Ser
Gly His Ser Ile
Gly His Ser Leu
Gly His Thr Val
Gly His Val Thr
Gly Ile His Ser
Gly Ile Ser His
Gly Leu His Ser
Gly Leu Ser His
Gly Ser His Ile
Gly Ser His Leu
Gly Ser Ile His
Gly Ser Leu His
Gly Thr His Val
Gly Thr Val His
Gly Val His Thr
Gly Val Thr His
His Ala Ser Val
His Ala Val Ser
His Gly Ile Ser
His Gly Leu Ser
His Gly Ser Ile
His Gly Ser Leu
His Gly Thr Val
His Gly Val Thr
His Ile Gly Ser
His Ile Ser Gly
His Leu Gly Ser
His Leu Ser Gly
His Ser Ala Val
His Ser Gly Ile
His Ser Gly Leu
His Ser Ile Gly
His Ser Leu Gly
His Ser Val Ala
His Thr Gly Val
His Thr Val Gly
His Val Ala Ser
His Val Gly Thr
His Val Ser Ala
His Val Thr Gly
Ile Gly His Ser
Ile Gly Ser His
Ile His Gly Ser
Ile His Ser Gly
Ile Pro Pro Ser
Ile Pro Ser Pro
Ile Ser Gly His
Ile Ser His Gly
Ile Ser Pro Pro
Leu Gly His Ser
Leu Gly Ser His
Leu His Gly Ser
Leu His Ser Gly
Leu Pro Pro Ser
Leu Pro Ser Pro
Leu Ser Gly His
Leu Ser His Gly
Leu Ser Pro Pro
Pro Ala Glu Pro
Pro Ala Pro Glu
Pro Cys Pro Pro
C18H28N4O5S (412.17803180000004)
Pro Glu Ala Pro
Pro Glu Pro Ala
Pro Ile Pro Ser
Pro Ile Ser Pro
Pro Leu Pro Ser
Pro Leu Ser Pro
Pro Pro Ala Glu
Pro Pro Cys Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Glu Ala
Pro Pro Ile Ser
Pro Pro Leu Ser
Pro Pro Pro Cys
C18H28N4O5S (412.17803180000004)
Pro Pro Ser Ile
Pro Pro Ser Leu
Pro Pro Thr Val
Pro Pro Val Thr
Pro Ser Ile Pro
Pro Ser Leu Pro
Pro Ser Pro Ile
Pro Ser Pro Leu
Pro Thr Pro Val
Pro Thr Val Pro
Pro Val Pro Thr
Pro Val Thr Pro
Ser Ala His Val
Ser Ala Val His
Ser Gly His Ile
Ser Gly His Leu
Ser Gly Ile His
Ser Gly Leu His
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Ser His Gly Ile
Ser His Gly Leu
Ser His Ile Gly
Ser His Leu Gly
Ser His Val Ala
Ser Ile Gly His
Ser Ile His Gly
Ser Ile Pro Pro
Ser Leu Gly His
Ser Leu His Gly
Ser Leu Pro Pro
Ser Pro Ile Pro
Ser Pro Leu Pro
Ser Pro Pro Ile
Ser Pro Pro Leu
Ser Val Ala His
Ser Val His Ala
Thr Gly His Val
Thr Gly Val His
Thr His Gly Val
Thr His Val Gly
Thr Pro Pro Val
Thr Pro Val Pro
Thr Val Gly His
Thr Val His Gly
Thr Val Pro Pro
Val Ala His Ser
Val Ala Ser His
Val Gly His Thr
Val Gly Thr His
Val His Ala Ser
Val His Gly Thr
Val His Ser Ala
Val His Thr Gly
Val Pro Pro Thr
Val Pro Thr Pro
Val Ser Ala His
Val Ser His Ala
Val Thr Gly His
Val Thr His Gly
Val Thr Pro Pro
Cinalukast
C23H28N2O3S (412.18205380000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
5-(2,3-Dihydroxy-3-methylbutyl)-4-(3,4-epoxy-4-methylpentanoyl)-3,4-dihydroxy-2-isopentanoyl-2-cyclopenten-1-one
Austalide K
Abscisic alcohol 11-glucoside
Isopentyl gentiobioside
ST 21:2;O3;S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Urea, N-cyclopentyl-N-(2,4-difluorophenyl)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]- (9CI)
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
C26H24N2O3 (412.17868339999995)
Ametantrone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D000970 - Antineoplastic Agents
Treprostinil sodium
C23H33NaO5 (412.22255680000006)
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
Promethazine hcl
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
N2-(4-METHOXYPHENYL)-N4,N6-DI-M-TOLYL-1,3,5-TRIAZINE-2,4,6-TRIAMINE
C24H24N6O (412.20114939999996)
3,5-dimethylmorpholine-4-carboxamidine hemisulfate salt
C14H32N6O6S (412.21039320000006)
BIX02188
C25H24N4O2 (412.18991639999996)
BIX02188 is a potent MEK5-selective inhibitor with an IC50 of 4.3 nM. BIX02188 inhibits ERK5 catalytic activity, with an IC50 of 810 nM.
1,2-(2-Hydroxyl-4,4-bis-alpha-pyranol)diphenylethanone
(BENZO[3,4-D]1,3-DIOXOLAN-5-YLMETHYLENE)METHANE-1,1-DICARBONITRILE
2-DEOXY-ALPHA-D-RIBOSE 1-PHOSPHATE BIS(CYCLOHEXYLAMINE) SALT
(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine
4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol
C25H24N4O2 (412.18991639999996)
6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
C26H24N2O3 (412.17868339999995)
2-Methyl-3-phenyl-5-propyl-7-[4-(2-pyridinyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine
N-{5-[4-(4-Methylpiperazin-1-YL)phenyl]-1H-pyrrolo[2,3-B]pyridin-3-YL}nicotinamide
C24H24N6O (412.20114939999996)
5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile
ADAPALENE
D - Dermatologicals > D10 - Anti-acne preparations > D10A - Anti-acne preparations for topical use > D10AD - Retinoids for topical use in acne C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D003879 - Dermatologic Agents
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-
C18H28N4O5S (412.17803180000004)
Gardneramine
3,4,6-Trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene is a member of indoles. 3,4,6-Trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene is a natural product found in Pinalia multiflora, Gardneria ovata, and Gardneria multiflora.
Ultiva
C20H29ClN2O5 (412.17648940000004)
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
17-Hydroxypregnenolone 3-sulfate
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-(5-chloro-1H-indol-3-yl)-N-[2-[2-(cyclopropylmethoxy)phenoxy]ethyl]-2-methylpropan-2-amine
(3S,4aR,5S,8R)-8-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
N-(phenylmethyl)-3-[3,4,6-trimethyl-1-(4-methylphenyl)-5-pyrazolo[3,4-b]pyridinyl]propanamide
(3S,4aR,5R,6S)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum.
(3S,4aR,5R,6R)-6-hydroxy-4a,5-dimethyl-3-((E)-1-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)prop-1-en-2-yl)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one
A natural product found in Pittocaulon velatum and Pittocaulon praecox.
N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide
C23H28N2O3S (412.18205380000006)
4-[4-[5-[3-[(Cyclopropylamino)methyl]anilino]-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,5-dienylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
C25H24N4O2 (412.18991639999996)
[1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-(2-phenoxyethyl)-4-piperidinyl]methanol
1-[2-[(3-Cyano-7-methyl-2-quinolinyl)amino]ethyl]-3-[3-(4-morpholinyl)propyl]thiourea
2-(1,3-Benzoxazol-2-ylamino)-7-phenyl-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
C25H24N4O2 (412.18991639999996)
2-[(5-Phenyl-1,3-benzoxazol-2-yl)amino]-5-spiro[1,6,7,8-tetrahydroquinazoline-4,1-cyclopentane]one
C25H24N4O2 (412.18991639999996)
(3R,3aS,6E,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
(1R,12S,13S,16Z,17R,19S)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-pyridin-2-ylacetyl)amino]oxan-2-yl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N,N-dimethyl-3-[4-[(1R,5S)-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H24N2O3 (412.17868339999995)
[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C21H27F3N2O3 (412.19736680000005)
1-[(2S,3S)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
C21H27F3N2O3 (412.19736680000005)
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(2-pyridinyl)ethyl]amino]-2-oxanyl]-N-(2-pyridin-4-ylethyl)acetamide
N,N-dimethyl-4-[4-[(1R,5S)-6-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide
[(2S,3S)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C21H27F3N2O3 (412.19736680000005)
[(2S,3R)-2-(hydroxymethyl)-3-phenyl-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-(4-oxanyl)methanone
C21H27F3N2O3 (412.19736680000005)
1-[(2R,3R)-2-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-6-yl]-2-methoxyethanone
C21H27F3N2O3 (412.19736680000005)
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-(1,3-oxazol-4-ylmethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
dimethyl (1R,16R,18R,21S)-12-oxido-2-aza-12-azoniahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3,5,7-triene-2,18-dicarboxylate
(3R,3As,6Z,9S,10E,11aS)-3,6,10-trimethyl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
2-[hydroxy-[(2R)-3-hydroxy-2-(9-oxononanoyloxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(3R)-3-benzylpiperazin-1-yl]-4-(4-imidazol-1-ylphenoxy)pyrimidine
C24H24N6O (412.20114939999996)
(16E)-3,4,6-trimethoxy-16-(2-methoxyethylidene)-10-oxa-8,14-diazahexacyclo[11.6.1.01,9.02,7.012,17.014,19]icosa-2(7),3,5,8-tetraene
2-[(3-Acetyloxy-2-heptanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(2-Hexanoyloxy-3-propanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
2-[(3-Butanoyloxy-2-pentanoyloxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO8P+ (412.21001800000005)
17alpha-hydroxypregnenolone 3-sulfate
A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Desmethyl cariprazine
C20H30Cl2N4O (412.17965499999997)
Desmethyl cariprazine is an active metabolite of Cariprazine[1]. Cariprazine, an antipsychotic agent candidate, exhibits high affinity for the D3 (Ki=0.085 nM) and D2 (0.49 nM) receptors, and moderate affinity for the 5-HT1A receptor (2.6 nM)[2].
HIF1-IN-3
C26H24N2O3 (412.17868339999995)
HIF1-IN-3 (compound F4) is a potent HIF1 inhibitor with an EC50 value of 0.9 μM. HIF1-IN-3 can be used for researching anticancer[1].