Exact Mass: 412.1681364
Exact Mass Matches: 412.1681364
Found 500 metabolites which its exact mass value is equals to given mass value 412.1681364,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Bisindolylmaleimide i
C25H24N4O2 (412.18991639999996)
GF 109203X
C25H24N4O2 (412.18991639999996)
D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Methylpicraquassioside A
C19H24O10 (412.13694039999996)
Methylpicraquassioside A is found in herbs and spices. Methylpicraquassioside A is a constituent of Ruta graveolens (rue). Constituent of Ruta graveolens (rue). Methylpicraquassioside A is found in herbs and spices.
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.
Dicaffeoylputrescine
Dicaffeoylputrescine is found in fats and oils. Dicaffeoylputrescine is an alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Alkaloid from Helianthus annuus (sunflower) and Pyrus communis (pear). Dicaffeoylputrescine is found in pomes and fats and oils.
Garcimangosone C
Garcimangosone C is found in fruits. Garcimangosone C is a constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Constituent of the dried fruit hulls of Garcinia mangostana (mangosteen). Garcimangosone C is found in fruits.
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
17-Hydroxypregnenolone 3-sulfate
Brucein E
Capmatinib
C23H17FN6O (412.14478039999995)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Fluocinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Rhomellose
3-Acetoxy-5-(2-(dimethylamino)ethyl)-2,3-dihydro-8-methyl-2-(4-methylphenyl)-1,5-benzothiazepin-4(5H)-one
C23H28N2O3S (412.18205380000006)
11b,13-Dihydrolactucopicrin
11b,13-dihydrolactucopicrin is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. 11b,13-dihydrolactucopicrin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 11b,13-dihydrolactucopicrin can be found in chicory, which makes 11b,13-dihydrolactucopicrin a potential biomarker for the consumption of this food product.
Uvarigranol C
CID 24721471 is a natural product found in Uvaria grandiflora with data available.
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.
[3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
C20H28O7S (412.15556580000003)
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
1,2-Dihydro-1,8,10-trihydroxy-2-(2-hydroxypropan-2-yl)-9-(3-methylbut-2-enyl)furo[3,2-a]-xanthen-11-one
(-)-2beta-(2zeta-Hydroperoxy-3-methylbut-3-enyl)-2-deoxybruceol
cis-12a-Hydroxyrot-2-enonic acid
dalcochinin
11beta,13-dihydrolactucopicrin
A sesquiterpene lactone obtained by formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with the 8-hydroxy group of 11beta,13-dihydrolactucin. Found in chicory.
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
(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
4,6,9-Trihydroxy-2-(1-hydroxy-1-methylethyl)-11-(3-methyl-2-butenyl-)-2,3-dihydro-5H-furo[3,2-b]xanthene-5-one
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
6beta-Angeloyloxy-3beta-(2-methylacryloyloxy)-9-oxoeuryopsin
(6b)|14-hydroxy-vomicine 21alpha,22alpha-epoxide|21,22alpha-epoxy-4,14-dihydroxy-19-methyl-(21alpha)-21,22-dihydro-16,19-seco-strychnidine-10,16-dione
(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
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
(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
1-O-butanoyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose|nonioside P
pentyl O-beta-(2-O-beta-D-glucopyranosyl)-D-glucopyranoside
1,3,8-Trihydroxy-2-(3-methyl-2-butenyl)-4-(3-methyl-3-hydroxybutanoyl)-9H-xanthene-9-one
4-(3,7-dimethyl-6-hydroxy-2,7-octadienyl)-1,3,5,8-tetrahydroxyxanthone|garcihombronone B
(2S)-5,7-Dimethoxy-8-(2S-hydroxy-3-methyl-3-butenyl)-3,4-methylenedioxyflavanone
An extended flavonoid that is 3,4-methylenedioxyflavanone substituted by methoxy groups at positions 5 and 7 and a 2-hydroxy-3-methyl-3-butenyl moiety at position 8 (the 2S stereoisomer). Isolated from the stem barks of Pongamia pinnata, it acts as a an inducer of quinone reductase, a phase II enzyme that protects cells against reactive, toxic and potentially carcinogenic species.
jerantinine D
An indole alkaloid that is jerantinine C substituted by an epoxy group across positions 14 and 15. Isolated from Tabernaemontana corymbosa, it exhibits cytotoxicity against human KB cells.
8alpha,13-diacetoxy-1alpha,10alpha-1beta,5beta-diepoxygermacra-7(11)en-12-olide
C19H24O10 (412.13694039999996)
1beta-E-p-coumaroyl-5alpha-hydroxypolygodial|insperadial
(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
5-Benzofuranpropanoic acid, 6-(beta-D-glucopyranosyloxy)-7-methoxy-, methyl ester
C19H24O10 (412.13694039999996)
Brucein E
Brucein E is a natural product found in Brucea javanica with data available.
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
C16H28O12_6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
C20H28O9_2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(beta-D-glucopyranosyloxy)-1-methylbutyl ester, (2E)
C16H28O12_alpha-D-Glucopyranoside, alpha-D-glucopyranosyl, 3-(2-methylpropanoate)
C23H24O7_Benzeneacetic acid, 4-hydroxy-, (3S,3aR,4S,9aS,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-9-(hydroxymethyl)-3,6-dimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl ester
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate
9-OH-Risperidone
C22H25FN4O3 (412.1910591999999)
CONFIDENCE standard compound; INTERNAL_ID 1568
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based on: CCMSLIB00000845017]
3-[2-(2-hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol [IIN-based: Match]
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_major
[4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-5-oxo-1,2,3,4,4a,6,7,8-octahydronaphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoate_major
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_45.6\\%
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_67.4\\%
Ala Ala Asp His
C16H24N6O7 (412.17063939999997)
Ala Ala His Asp
C16H24N6O7 (412.17063939999997)
Ala Cys Gly Tyr
Ala Cys Tyr Gly
Ala Asp Ala His
C16H24N6O7 (412.17063939999997)
Ala Asp His Ala
C16H24N6O7 (412.17063939999997)
Ala Glu Gly His
C16H24N6O7 (412.17063939999997)
Ala Glu His Gly
C16H24N6O7 (412.17063939999997)
Ala Glu Pro Pro
Ala Gly Cys Tyr
Ala Gly Glu His
C16H24N6O7 (412.17063939999997)
Ala Gly His Glu
C16H24N6O7 (412.17063939999997)
Ala Gly Tyr Cys
Ala His Ala Asp
C16H24N6O7 (412.17063939999997)
Ala His Asp Ala
C16H24N6O7 (412.17063939999997)
Ala His Glu Gly
C16H24N6O7 (412.17063939999997)
Ala His Gly Glu
C16H24N6O7 (412.17063939999997)
Ala Pro Glu Pro
Ala Pro Pro Glu
Ala Tyr Cys Gly
Ala Tyr Gly Cys
Cys Ala Gly Tyr
Cys Ala Tyr Gly
Cys Phe Gly Ser
Cys Phe Ser Gly
Cys Gly Ala Tyr
Cys Gly Phe Ser
Cys Gly His Pro
Cys Gly Pro His
Cys Gly Ser Phe
Cys Gly Tyr Ala
Cys His Gly Pro
Cys His Pro Gly
Cys Pro Gly His
Cys Pro His Gly
Cys Pro Pro Pro
C18H28N4O5S (412.17803180000004)
Cys Ser Phe Gly
Cys Ser Gly Phe
Cys Tyr Ala Gly
Cys Tyr Gly Ala
Asp Ala Ala His
C16H24N6O7 (412.17063939999997)
Asp Ala His Ala
C16H24N6O7 (412.17063939999997)
Asp His Ala Ala
C16H24N6O7 (412.17063939999997)
Glu Ala Gly His
C16H24N6O7 (412.17063939999997)
Glu Ala His Gly
C16H24N6O7 (412.17063939999997)
Glu Ala Pro Pro
Glu Gly Ala His
C16H24N6O7 (412.17063939999997)
Glu Gly His Ala
C16H24N6O7 (412.17063939999997)
Glu His Ala Gly
C16H24N6O7 (412.17063939999997)
Glu His Gly Ala
C16H24N6O7 (412.17063939999997)
Glu Pro Ala Pro
Glu Pro Pro Ala
Phe Cys Gly Ser
Phe Cys Ser Gly
Phe Gly Cys Ser
Phe Gly Ser Cys
Phe Ser Cys Gly
Phe Ser Gly Cys
Gly Ala Cys Tyr
Gly Ala Glu His
C16H24N6O7 (412.17063939999997)
Gly Ala His Glu
C16H24N6O7 (412.17063939999997)
Gly Ala Tyr Cys
Gly Cys Ala Tyr
Gly Cys Phe Ser
Gly Cys His Pro
Gly Cys Pro His
Gly Cys Ser Phe
Gly Cys Tyr Ala
Gly Glu Ala His
C16H24N6O7 (412.17063939999997)
Gly Glu His Ala
C16H24N6O7 (412.17063939999997)
Gly Phe Cys Ser
Gly Phe Ser Cys
Gly His Ala Glu
C16H24N6O7 (412.17063939999997)
Gly His Cys Pro
Gly His Glu Ala
C16H24N6O7 (412.17063939999997)
Gly His Pro Cys
Gly Pro Cys His
Gly Pro His Cys
Gly Ser Cys Phe
Gly Ser Phe Cys
Gly Ser Ser Tyr
C17H24N4O8 (412.15940639999997)
Gly Ser Tyr Ser
C17H24N4O8 (412.15940639999997)
Gly Tyr Ala Cys
Gly Tyr Cys Ala
Gly Tyr Ser Ser
C17H24N4O8 (412.15940639999997)
His Ala Ala Asp
C16H24N6O7 (412.17063939999997)
His Ala Asp Ala
C16H24N6O7 (412.17063939999997)
His Ala Glu Gly
C16H24N6O7 (412.17063939999997)
His Ala Gly Glu
C16H24N6O7 (412.17063939999997)
His Cys Gly Pro
His Cys Pro Gly
His Asp Ala Ala
C16H24N6O7 (412.17063939999997)
His Glu Ala Gly
C16H24N6O7 (412.17063939999997)
His Glu Gly Ala
C16H24N6O7 (412.17063939999997)
His Gly Ala Glu
C16H24N6O7 (412.17063939999997)
His Gly Cys Pro
His Gly Glu Ala
C16H24N6O7 (412.17063939999997)
His Gly Pro Cys
His Pro Cys Gly
His Pro Gly Cys
Pro Ala Glu Pro
Pro Ala Pro Glu
Pro Cys Gly His
Pro Cys His Gly
Pro Cys Pro Pro
C18H28N4O5S (412.17803180000004)
Pro Glu Ala Pro
Pro Glu Pro Ala
Pro Gly Cys His
Pro Gly His Cys
Pro His Cys Gly
Pro His Gly Cys
Pro Pro Ala Glu
Pro Pro Cys Pro
C18H28N4O5S (412.17803180000004)
Pro Pro Glu Ala
Pro Pro Pro Cys
C18H28N4O5S (412.17803180000004)
Ser Cys Phe Gly
Ser Cys Gly Phe
Ser Phe Cys Gly
Ser Phe Gly Cys
Ser Gly Cys Phe
Ser Gly Phe Cys
Ser Gly Ser Tyr
C17H24N4O8 (412.15940639999997)
Ser Gly Tyr Ser
C17H24N4O8 (412.15940639999997)
Ser Ser Gly Tyr
C17H24N4O8 (412.15940639999997)
Ser Ser Tyr Gly
C17H24N4O8 (412.15940639999997)
Ser Tyr Gly Ser
C17H24N4O8 (412.15940639999997)
Ser Tyr Ser Gly
C17H24N4O8 (412.15940639999997)
Tyr Ala Cys Gly
Tyr Ala Gly Cys
Tyr Cys Ala Gly
Tyr Cys Gly Ala
Tyr Gly Ala Cys
Tyr Gly Cys Ala
Tyr Gly Ser Ser
C17H24N4O8 (412.15940639999997)
Tyr Ser Gly Ser
C17H24N4O8 (412.15940639999997)
Tyr Ser Ser Gly
C17H24N4O8 (412.15940639999997)
Cinalukast
C23H28N2O3S (412.18205380000006)
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
Dicaffeoylputrescine
Garcimangosone C
Isopentyl gentiobioside
4,8-Dihydroxy-3-(3-methoxy-3-oxo-1-propen-2-yl)-8a-methyl-5-oxodecahydro-2-naphthalenyl 3,4-dihydroxy-2-methylenebutanoate
2,6a,8a,11b-Tetrahydroxy-7-(hydroxymethyl)-1,4,4,10-tetramethyl-3a,6a,7,8,8a,11a,11b,11c-octahydro-1H-5,6-dioxanaphtho[1,8-ef]azulene-3,9(2H,4H)-dione
4-(?-D-Glucopyranosyloxy)-2-pentanyl (2E)-3-(4-hydroxyphenyl)acrylate
ST 21:2;O3;S
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
cobalt,(6Z)-6-[[3-[methyl-[3-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]propyl]amino]propylamino]methylidene]cyclohexa-2,4-dien-1-one
[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
C26H24N2O3 (412.17868339999995)
1H-Pyrrolo[2,3-b]pyridine, 5-Methyl-1-[(4-Methylphenyl)sulfonyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
(3s)-3-(Benzyloxycarbonyl-carboxyMethyl-amino)-pyrrolidine-1-carboxylic acid benzyl ester
FMoc-(R)-3-AMino-3-(4-cyano-phenyl)-propionic acid
C25H20N2O4 (412.14230000000003)
FMOC-(S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONICACID
C25H20N2O4 (412.14230000000003)
1-diphenylphosphanylpropan-2-yl(diphenyl)phosphane
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
(R-2-AMINO-1,1-DIFLUORO2-PHENYL)ETHYLPHOSPHONICACID
(S)-2-(((BENZYLOXY)CARBONYL)(1-((BENZYLOXY)CARBONYL)PYRROLIDIN-3-YL)AMINO)ACETIC ACID
Decloxizine (dihydrochloride)
C21H30Cl2N2O2 (412.16842199999996)
Decloxizine dihydrochloride(UCB-1402; NSC289116) is a histamine 1 receptor antagonist.
DMP 543
C26H18F2N2O (412.13871219999993)
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
ethane-1,2-diol,furan-2,5-dione,hexanedioic acid,2-(2-hydroxyethoxy)ethanol
6a,9a-Difluoro-11b,17a-dihydroxy-16a-methyl-3-oxoandrosta-1,4-diene-17b-carbothioic acid
C21H26F2O4S (412.15197800000004)
Pruvanserin hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
(3R)-4-[2-(1H-indol-4-yl)-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-3-methylmorpholine
C21H24N4O3S (412.15690340000003)
4-[5-[[3-[(Cyclopropylamino)methyl]phenyl]amino]-1h-Pyrazol-3-Yl]-[1,1-Biphenyl]-2,4-Diol
C25H24N4O2 (412.18991639999996)
N-(1-propyl-2-benzimidazolyl)-3-(1-pyrrolidinylsulfonyl)benzamide
C21H24N4O3S (412.15690340000003)
6-Hydroxy-7-phenyl-4-[(4-phenyl-1-piperazinyl)methyl]-1-benzopyran-2-one
C26H24N2O3 (412.17868339999995)
[(2S)-2-Sulfanyl-3-phenylpropanoyl]-gly-(5-phenylproline)
C22H24N2O4S (412.14567040000003)
5-(4-Amino-1-ethyl-5,8-difluoro-1H-spiro[piperidine-4,2-quinazoline]-1-ylcarbonyl)picolinonitrile
Atr kinase inhibitor AZD6738
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Capmatinib
C23H17FN6O (412.14478039999995)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Benzenesulfonamide, 2-(cyclohexylamino)-5-nitro-N-((pentylamino)carbonyl)-
C18H28N4O5S (412.17803180000004)
4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentan-2-yl 3-(4-hydroxyphenyl)prop-2-enoate
Brucein E
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(E)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
(6aS)-6a,12aalpha-Dihydro-2,3-dimethoxy-8-[(Z)-3-methyl-4-hydroxy-2-butenyl]-9-hydroxy[1]benzopyrano[3,4-b][1]benzopyran-12(6H)-one
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
1-Benzyl-5-(3,5-dimethylpiperidin-1-yl)sulfonylindole-2,3-dione
C22H24N2O4S (412.14567040000003)
N-cycloheptyl-3-[3,4-dihydro-2H-quinolin-1-yl(oxo)methyl]benzenesulfonamide
C23H28N2O3S (412.18205380000006)
6-O-Isobutyryl-alpha-D-glucopyranosyl alpha-D-glucopyranoside
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
3-methyl-2-benzo[g]benzofurancarboxylic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester
C25H20N2O4 (412.14230000000003)
7-Methyl-14-morpholin-4-yl-11-thia-3,8,13-triazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),13,15(20)-tetraene-4,9-dione
C21H24N4O3S (412.15690340000003)
Ethyl 4-amino-2-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]pyrimidine-5-carboxylate
N-(2-fluorophenyl)-2-oxo-2-[(2E)-2-{2-[2-oxo-2-(pyrrolidin-1-yl)ethoxy]benzylidene}hydrazinyl]acetamide
N-[[4-(dimethylamino)phenyl]methyl]-2-[methyl(8-quinolinylsulfonyl)amino]acetamide
C21H24N4O3S (412.15690340000003)
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
C21H24N4OS2 (412.13914539999996)
1-(4-isopropylphenyl)-5-[(2-phenyl-5-pyrimidinyl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
C24H20N4O3 (412.15353300000004)
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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)
1-(4-Fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dione
C27H21FO3 (412.14746479999997)
1,1,2,2,3,3,4,4,5,5-Decamethyl-1,5-bis((methylthio)methyl)pentasilane
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-benzylacetamide
C19H28N2O6S (412.16679880000004)
2-[(1S,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
C22H24N2O4S (412.14567040000003)
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
C22H24N2O4S (412.14567040000003)
(6S,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
(6R,7R,8S)-4-benzoyl-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H24N2O3 (412.17868339999995)
(6R,7S,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
[(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)
[(2R,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
C22H24N2O4S (412.14567040000003)
(1R,5S)-7-[4-(3-cyanophenyl)phenyl]-N-(3-fluorophenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
2-[(1S,3R,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-(3-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopropylmethanone
C22H24N2O4S (412.14567040000003)
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C19H28N2O6S (412.16679880000004)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C19H28N2O6S (412.16679880000004)
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-methylsulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(phenylmethyl)acetamide
C19H28N2O6S (412.16679880000004)
(6R,7R,8R)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
(6S,7S,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
(6S,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
(6R,7R,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
(6R,7S,8S)-4-(benzenesulfonyl)-8-(hydroxymethyl)-7-[4-[(E)-prop-1-enyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C22H24N2O4S (412.14567040000003)
[(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)
[(2S,3S)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
C22H24N2O4S (412.14567040000003)
[(2S,3R)-1-(benzenesulfonyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-cyclopropylmethanone
C22H24N2O4S (412.14567040000003)
(E)-N-(4-aminobutyl)-3-[4-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enamide
3-[2-(2-Hydroxy-4-methoxy-6-methylphenoxy)-4-methoxy-6-methylphenoxy]-5-methylbenzene-1,2-diol
1,6,9,15-Tetrahydroxy-8-(hydroxymethyl)-4,12,12,16-tetramethyl-10,11-dioxatetracyclo[7.7.1.02,6.013,17]heptadec-3-ene-5,14-dione
7-Benzyloxy-2,3-dihydro-2,2-dimethyl-O,6-BI(4H-1-benzopyran)-4-one
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].
(3as,4r,8r,11ar)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl (2s,3s)-2-hydroxy-2-(hydroxymethyl)-3-sulfanylbutanoate
C20H28O7S (412.15556580000003)