Exact Mass: 428.1998916
Exact Mass Matches: 428.1998916
Found 500 metabolites which its exact mass value is equals to given mass value 428.1998916
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Garcinone D
Garcinone D is a natural product found in Garcinia morella, Garcinia dulcis, and other organisms with data available. From Garcinia mangostana (mangosteen). Garcinone D is found in fruits and purple mangosteen. Garcinone D is found in fruits. Garcinone D is from Garcinia mangostana (mangosteen).
3'-(1'-(3-Methylbutanoyl))-angeloyl vaginidiol
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is found in fats and oils. 3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is a constituent of the roots of Angelica archangelica (angelica). Constituent of the roots of Angelica archangelica (angelica). 3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol is found in fats and oils, herbs and spices, and green vegetables.
Austalide L
Austalide L is a mycotoxin produced by Aspergillus ustu
Taraxacolide 1-O-b-D-glucopyranoside
*Constituent of Taraxacum officinale (dandelion). Taraxacolide 1-O-b-D-glucopyranoside is found in many foods, some of which are coffee and coffee products, beverages, alcoholic beverages, and tea. Taraxacolide 1-O-b-D-glucopyranoside is found in alcoholic beverages. *Taraxacolide 1-O-b-D-glucopyranoside is a constituent of Taraxacum officinale (dandelion
3-Isomangostin hydrate
3-Isomangostin hydrate is found in fruits. 3-Isomangostin hydrate is a constituent of Garcinia mangostana (mangosteen). Constituent of Garcinia mangostana (mangosteen). 3-Isomangostin hydrate is found in fruits.
Artoflavanone
Artoflavanone is found in fruits. Artoflavanone is a constituent of Artocarpus heterophyllus (jackfruit)
Heteroflavanone B
Heteroflavanone B is found in fruits. Heteroflavanone B is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone B is found in jackfruit and fruits.
Edulisin V
Edulisin V is found in green vegetables. Edulisin V is a constituent of Angelica edulis. Constituent of Angelica edulis. Edulisin V is found in green vegetables.
Pyridinoline
Derived from collagen cross-links formed between adjacent hydroxylysine residues in type I and type II collagen of bone and cartilage respectively. Released into serum during bone resorption Pyridinoline is a breakdown product of bone collagen. It can be used as a bone marker to measure osteoclastic activity.
1-Isomangostin hydrate
1-Isomangostin hydrate is found in fruits. 1-Isomangostin hydrate is a constituent of Garcinia mangostana (mangosteen)
Capivasertib
C21H25ClN6O2 (428.17274199999997)
1-(3-(4-Phenylbenzyl)-4-hydroxychroman-7-yl)cyclopentane-1-carboxylic acid
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D020024 - Leukotriene Antagonists D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists
Xanthine amine congener
Zaldaride
C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals
Hypochoeroside A
Hypochoeroside a belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Hypochoeroside a is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Hypochoeroside a can be found in endive, which makes hypochoeroside a a potential biomarker for the consumption of this food product.
Cratoxylone
Larotrectinib
Praeruptorin E
Praeruptorin E is a natural product found in Musineon divaricatum with data available. Praeruptorin E is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.2[1]. Praeruptorin E is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.2[1].
Cratoxylone
Cratoxylone is a natural product found in Garcinia cowa, Pentadesma butyracea, and other organisms with data available.
Wulongensin A
Praeruptorin C is a natural product found in Musineon divaricatum with data available. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1]. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].
Praeruptorin
Praeruptorin C is a natural product found in Musineon divaricatum with data available. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1]. Praeruptorin C is a main bioactive constituent of Peucedanum praeruptorum (also known as Bai-Hua Qian Hu). Praeruptorin C is a calcium antagonist with pD2′ value of 5.7[1].
Isomajdine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Annotation level-1
Sphaeranthanolide
Sonchuside F
Sonchuside G
11beta,13-dihydroparthenolide-14-O-beta-D-glucopyranoside
3,6,8-trihydroxy-1-[(2Z)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]-2-methoxy-9H-xanthen-9-one|butyraxanthone D
(E,E)-3beta-O-beta-D-glucopyranosyl-9beta-hydroxy-6beta,7alpha,11betaH-germacra-1(10),4-dien-12,6-olide|scorzoaustriacoside
4alpha,5alpha-epoxy-10alpha,11beta,13H,14H-1-epi-inuviscolide 3-beta-D-glucoside
3beta-hydroxy-8alpha-(3,4-dimethoxybenzoyloxy)-11beta,13-dihydro-1alphaH,5alphaH,6betaH,7alphaH-guai-4(15),10(14)-dien-6,12-olide
3-[[5,7-dihydroxy-2,2-dimethyl-6-(2-methyl-1-oxopropyl)-2 h -1-benzopyran-8-yl]-methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
(+)-cis-(3S,4S)-3,4-diisovalerylkhellactone|peujaponisin
(5-angeloyloxytiglinoyloxy)-costunolide|<5-angeloyloxytiglinoyloxy>-costunolide
(2R,4S)-2-O-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-2,4-pentanediol
3-[[2,3-dihydro-4,6-dihydroxy-2-(1-methylethenyl)-5-(2-methyl-1-oxopropyl)-7-benzofuranyl]methyl]-6-ethyl-4-hydroxy-5-methyl-2 h -pyran-2-one
1,3,7,9-tetrahydroxy-2,8-dimethyl-4,6-di(2-methylbutanoyl)-dibenzofuran
(1R,2S,4S,5R,6R,9S)-2-hydroxy-11-oxoallocedra-13-oic acid 13-O-beta-D-glucopyranosyl ester
14-O-beta-D-glucopyranosyl-6-deoxy-3,4-dehydrofloridanolide|dunnianolide A
1-(2-Amino-1-oxopropyl)-2,3,3alpha, 13alpha, 14,15,16,18alpha-octahydro-8-methoxy-5,9-metheno-9H-dipyrrolo[3,2-b:1,2-e][1,5,8]oxadiazacyclopentadecine-13,18-(1H,12H)-dione
(19S)-17,19-epoxy-10,11-dimethoxy-7-oxo-1,7-dihydro-(20alphaH)-2xi,6-cyclo-6,7-seco-coryn-16-ene-16-carboxylic acid methyl ester|(2S,3S,15S,19S,20S)-isoreserpiline pseudoindoxyl|10,11-dimethoxy-19alpha-methyl-7-oxo-1,7-dihydro-(20alpha)-18-oxa-2xi,6-cyclo-6,7-seco-yohimb-16-ene-16-carboxylic acid methyl ester|Isoreserpilin-pseudoindoxyl|Isoreserpilin-Psi-indoxyl|isoreserpiline pseudoindoxyl
1beta-[(E-p-methoxycinnamoyl)oxy]-6alpha-hydroxyisodrimeninol
3(S)-Angeroyloxy-4(R)-isovaleryloxy-3,4-dihydroxanthyletin (Praeruptorin III)|AD-I
6beta-angeloyloxy-9beta-methacryloyloxy-8-epizinamultifluoride
4alpha-hydroxy-5alpha,8betaH-eudesman-7(11)-en-8alpha,12-olide-15-O-beta-D-glucopyranoside|sarcaglaboside H
3beta-hydroxy-4aH-3-dihydrosantamarine-1beta-D-glucopyranoside
CAY10594
CAY10594 is a potent phospholipase D2 (PLD2) inhibitor both in vitro (IC50=140 nM) and in cells (IC50=110 nM)[1]. CAY10594 strongly inhibits the invasive migration of breast cancer cells in vitro and ameliorates acetaminophen-induced acute liver injury by regulating the phosphorylated-GSK-3β/JNK axis[2].
Isocarapanaubine
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate
[8-[2-(3-methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] (Z)-2-methylbut-2-enoate
(2R,2R,4aS,6R,8aS)-6,7-diformyl-4-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H,3H-spiro[benzofuran-2,1-naphthalen]-6-yl acetate
((S)-2-((E)-6-((R)-3,3-dimethyloxiran-2-yl)-4-methylhex-3-en-1-yl)-8-formyl-5-hydroxy-2-methyl-2H-chromen-7-yl)methyl acetate
Majdine
D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids Origin: Plant; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
Elegantine
Origin: Plant; Formula(Parent): C23H28N2O6; Bottle Name:Isomajdine; PRIME Parent Name:Isomajdine; PRIME in-house No.:V0302; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids PRIME Parent Name:Isomajdine; Origin: Plant; Formula(Parent): C23H28N2O6; Bottle Name:Isomajdine; PRIME in-house No.:V0302; SubCategory_DNP: Alkaloids derived from tryptophan, Secologanin typtamine alkaloids, Indole alkaloids
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based on: CCMSLIB00000846900]
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate [IIN-based: Match]
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate_major
[8,8-dimethyl-10-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbutanoate_99.4\\%
Ala Ala His Met
C17H28N6O5S (428.18417980000004)
Ala Ala Met His
C17H28N6O5S (428.18417980000004)
Ala Cys His Val
C17H28N6O5S (428.18417980000004)
Ala Cys Val His
C17H28N6O5S (428.18417980000004)
Ala Glu Ile Pro
C19H32N4O7 (428.22708819999997)
Ala Glu Leu Pro
C19H32N4O7 (428.22708819999997)
Ala Glu Pro Ile
C19H32N4O7 (428.22708819999997)
Ala Glu Pro Leu
C19H32N4O7 (428.22708819999997)
Ala His Ala Met
C17H28N6O5S (428.18417980000004)
Ala His Cys Val
C17H28N6O5S (428.18417980000004)
Ala His Met Ala
C17H28N6O5S (428.18417980000004)
Ala His Thr Thr
Ala His Val Cys
C17H28N6O5S (428.18417980000004)
Ala Ile Glu Pro
C19H32N4O7 (428.22708819999997)
Ala Ile Pro Glu
C19H32N4O7 (428.22708819999997)
Ala Leu Glu Pro
C19H32N4O7 (428.22708819999997)
Ala Leu Pro Glu
C19H32N4O7 (428.22708819999997)
Ala Met Ala His
C17H28N6O5S (428.18417980000004)
Ala Met His Ala
C17H28N6O5S (428.18417980000004)
Ala Asn Pro Gln
Ala Asn Gln Pro
Ala Pro Glu Ile
C19H32N4O7 (428.22708819999997)
Ala Pro Glu Leu
C19H32N4O7 (428.22708819999997)
Ala Pro Asn Gln
Ala Pro Gln Asn
Ala Gln Asn Pro
Ala Gln Pro Asn
Ala Thr His Thr
Ala Thr Thr His
Ala Val Cys His
C17H28N6O5S (428.18417980000004)
Ala Val His Cys
C17H28N6O5S (428.18417980000004)
Cys Ala His Val
C17H28N6O5S (428.18417980000004)
Cys Ala Val His
C17H28N6O5S (428.18417980000004)
Cys Gly His Ile
C17H28N6O5S (428.18417980000004)
Cys Gly His Leu
C17H28N6O5S (428.18417980000004)
Cys Gly Ile His
C17H28N6O5S (428.18417980000004)
Cys Gly Leu His
C17H28N6O5S (428.18417980000004)
Cys His Ala Val
C17H28N6O5S (428.18417980000004)
Cys His Gly Ile
C17H28N6O5S (428.18417980000004)
Cys His Gly Leu
C17H28N6O5S (428.18417980000004)
Cys His Ile Gly
C17H28N6O5S (428.18417980000004)
Cys His Leu Gly
C17H28N6O5S (428.18417980000004)
Cys His Val Ala
C17H28N6O5S (428.18417980000004)
Cys Ile Gly His
C17H28N6O5S (428.18417980000004)
Cys Ile His Gly
C17H28N6O5S (428.18417980000004)
Cys Ile Pro Pro
Cys Leu Gly His
C17H28N6O5S (428.18417980000004)
Cys Leu His Gly
C17H28N6O5S (428.18417980000004)
Cys Leu Pro Pro
Cys Pro Ile Pro
Cys Pro Leu Pro
Cys Pro Pro Ile
Cys Pro Pro Leu
Cys Val Ala His
C17H28N6O5S (428.18417980000004)
Cys Val His Ala
C17H28N6O5S (428.18417980000004)
Asp Pro Pro Thr
Asp Pro Thr Pro
Asp Thr Pro Pro
Glu Pro Pro Ser
Glu Pro Ser Pro
Glu Ser Pro Pro
Gly Cys His Ile
C17H28N6O5S (428.18417980000004)
Gly Cys His Leu
C17H28N6O5S (428.18417980000004)
Gly Cys Ile His
C17H28N6O5S (428.18417980000004)
Gly Cys Leu His
C17H28N6O5S (428.18417980000004)
Gly His Cys Ile
C17H28N6O5S (428.18417980000004)
Gly His Cys Leu
C17H28N6O5S (428.18417980000004)
Gly His Ile Cys
C17H28N6O5S (428.18417980000004)
Gly His Leu Cys
C17H28N6O5S (428.18417980000004)
Gly Ile Cys His
C17H28N6O5S (428.18417980000004)
Gly Ile His Cys
C17H28N6O5S (428.18417980000004)
Gly Leu Cys His
C17H28N6O5S (428.18417980000004)
Gly Leu His Cys
C17H28N6O5S (428.18417980000004)
Gly Pro Gln Gln
Gly Gln Pro Gln
Gly Gln Gln Pro
His Ala Ala Met
C17H28N6O5S (428.18417980000004)
His Ala Cys Val
C17H28N6O5S (428.18417980000004)
His Ala Met Ala
C17H28N6O5S (428.18417980000004)
His Ala Thr Thr
His Ala Val Cys
C17H28N6O5S (428.18417980000004)
His Cys Ala Val
C17H28N6O5S (428.18417980000004)
His Cys Gly Ile
C17H28N6O5S (428.18417980000004)
His Cys Gly Leu
C17H28N6O5S (428.18417980000004)
His Cys Ile Gly
C17H28N6O5S (428.18417980000004)
His Cys Leu Gly
C17H28N6O5S (428.18417980000004)
His Cys Val Ala
C17H28N6O5S (428.18417980000004)
His Gly Cys Ile
C17H28N6O5S (428.18417980000004)
His Gly Cys Leu
C17H28N6O5S (428.18417980000004)
His Gly Ile Cys
C17H28N6O5S (428.18417980000004)
His Gly Leu Cys
C17H28N6O5S (428.18417980000004)
His Ile Cys Gly
C17H28N6O5S (428.18417980000004)
His Ile Gly Cys
C17H28N6O5S (428.18417980000004)
His Leu Cys Gly
C17H28N6O5S (428.18417980000004)
His Leu Gly Cys
C17H28N6O5S (428.18417980000004)
His Met Ala Ala
C17H28N6O5S (428.18417980000004)
His Ser Ser Val
His Ser Val Ser
His Thr Ala Thr
His Thr Thr Ala
His Val Ala Cys
C17H28N6O5S (428.18417980000004)
His Val Cys Ala
C17H28N6O5S (428.18417980000004)
His Val Ser Ser
Ile Cys Gly His
C17H28N6O5S (428.18417980000004)
Ile Cys His Gly
C17H28N6O5S (428.18417980000004)
Ile Cys Pro Pro
Ile Gly Cys His
C17H28N6O5S (428.18417980000004)
Ile Gly His Cys
C17H28N6O5S (428.18417980000004)
Ile His Cys Gly
C17H28N6O5S (428.18417980000004)
Ile His Gly Cys
C17H28N6O5S (428.18417980000004)
Ile Pro Cys Pro
Ile Pro Pro Cys
Leu Cys Gly His
C17H28N6O5S (428.18417980000004)
Leu Cys His Gly
C17H28N6O5S (428.18417980000004)
Leu Cys Pro Pro
Leu Gly Cys His
C17H28N6O5S (428.18417980000004)
Leu Gly His Cys
C17H28N6O5S (428.18417980000004)
Leu His Cys Gly
C17H28N6O5S (428.18417980000004)
Leu His Gly Cys
C17H28N6O5S (428.18417980000004)
Leu Pro Cys Pro
Leu Pro Pro Cys
Met Ala Ala His
C17H28N6O5S (428.18417980000004)
Met Ala His Ala
C17H28N6O5S (428.18417980000004)
Met His Ala Ala
C17H28N6O5S (428.18417980000004)
Asn Ala Pro Gln
Asn Ala Gln Pro
Asn Pro Ala Gln
Asn Pro Gln Ala
Asn Gln Ala Pro
Asn Gln Pro Ala
Pro Ala Asn Gln
Pro Ala Gln Asn
Pro Cys Ile Pro
Pro Cys Leu Pro
Pro Cys Pro Ile
Pro Cys Pro Leu
Pro Asp Pro Thr
Pro Asp Thr Pro
Pro Glu Pro Ser
Pro Glu Ser Pro
Pro Gly Gln Gln
Pro Ile Cys Pro
Pro Ile Pro Cys
Pro Leu Cys Pro
Pro Leu Pro Cys
Pro Asn Ala Gln
Pro Asn Gln Ala
Pro Pro Cys Ile
Pro Pro Cys Leu
Pro Pro Asp Thr
Pro Pro Glu Ser
Pro Pro Ile Cys
Pro Pro Leu Cys
Pro Pro Ser Glu
Pro Pro Thr Asp
Pro Gln Ala Asn
Pro Gln Gly Gln
Pro Gln Asn Ala
Pro Gln Gln Gly
Pro Ser Glu Pro
Pro Ser Pro Glu
Pro Thr Asp Pro
Pro Thr Pro Asp
Gln Ala Asn Pro
Gln Ala Pro Asn
Gln Gly Pro Gln
Gln Gly Gln Pro
Gln Asn Ala Pro
Gln Asn Pro Ala
Gln Pro Ala Asn
Gln Pro Gly Gln
Gln Pro Asn Ala
Gln Pro Gln Gly
Gln Gln Gly Pro
Gln Gln Pro Gly
Ser Glu Pro Pro
Ser His Ser Val
Ser His Val Ser
Ser Pro Glu Pro
Ser Pro Pro Glu
Ser Ser His Val
Ser Ser Val His
Ser Val His Ser
Ser Val Ser His
Thr Ala His Thr
Thr Ala Thr His
Thr Asp Pro Pro
Thr His Ala Thr
Thr His Thr Ala
Thr Pro Asp Pro
Thr Pro Pro Asp
Thr Thr Ala His
Thr Thr His Ala
Val Ala Cys His
C17H28N6O5S (428.18417980000004)
Val Ala His Cys
C17H28N6O5S (428.18417980000004)
Val Cys Ala His
C17H28N6O5S (428.18417980000004)
Val Cys His Ala
C17H28N6O5S (428.18417980000004)
Val His Ala Cys
C17H28N6O5S (428.18417980000004)
Val His Cys Ala
C17H28N6O5S (428.18417980000004)
Val His Ser Ser
Val Ser His Ser
Val Ser Ser His
A 922500
A 922500 (DGAT-1 Inhibitor 4a) is a potent, selective, and orally bioavailable diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of 9 and 22 nM against human and mouse DGAT-1, respectively.
1-Isomangostin hydrate
Austalide L
Artoflavanone
garcinone D
Taraxacolide 1-O-b-D-glucopyranoside
3-(1-(3-Methylbutanoyl))-angeloyl vaginidiol
Edulisin V
3-Isomangostin Hydrate
8,8-Dimethyl-9-[(3-methylbutanoyl)oxy]-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-10-yl 3-methyl-2-butenoate
9beta-hydroxy-11beta,13-dihydro-parthenolide-9-O-beta-D-glucopyranoside
9alpha-hydroxy-11beta,13-dihydro-parthenolide-9-O-beta-D-glucopyranoside
(S)-N-(2-HYDROXY-2-METHYL-1-PHENYL-PROPYL)-4-METHYL-BENZENESULFONAMIDE
1H-Azepine,hexahydro-1-[[[1-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]acetyl]-(9CI)
Capivasertib
C21H25ClN6O2 (428.17274199999997)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor Capivasertib (AZD5363) is an orally active and potent pan-AKT kinase inhibitor with IC50 of 3, 7 and 7 nM for Akt1,Akt2 and Akt3, respectively.
Pregna-1,4-dien-21-al, 16,17-[butylidenebis(oxy)]-11-hydroxy-3,20-dioxo-, (11β,16α)
L-Tyrosine,N-[(phenylmethoxy)carbonyl]-L-valyl-, methyl ester
6-Des(1-methyl-2-benzimidazolyl)-6-carboxy Telmisartan
5-O-tert-Butyldiphenylsilyl-2,3-O-isopropylidene-D-ribofuranose
2-Cyclohexene-1-octanoic acid, 5(or 6)-carboxy-4-hexyl-, dipotassium salt
C21H34K2O4 (428.17311240000004)
2,2-azobis[2-[1-(2-hydroxyethyl)-2-imidazolin-2-yl]propane] dihydrochloride monohydrate
C16H34Cl2N6O3 (428.20693140000003)
8-(4-([1,2,4]TRIAZOLO[1,5-A]PYRIDIN-6-YL)-3-(6-METHYLPYRIDIN-2-YL)-1H-PYRAZOL-1-YL)-2-OXASPIRO[4.5]DECAN-1-ONE
C24H24N6O2 (428.19606439999995)
1H-Benzimidazole-1-acetamide,N-cyclopentyl-2-[[2-(2,6-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-(9CI)
Olmesartan lactone impurity
C24H24N6O2 (428.19606439999995)
Olmesartan lactone impurity is a cyclic ester impurity of Olmesartan. Olmesartan is an angiotensin II receptor (AT1R) antagonist and has the potential for high blood pressure study[1][2].
ADL5859 HCl
C24H29ClN2O3 (428.18665940000005)
ADL-5859 hydrochloride (compound 20) is a selective and orally active δ opioid receptor (DOR) agonist with an Ki and an EC50 value of 0.84 and 20 nM, respectively. ADL-5859 hydrochloride also shows inhibitory activity to hERG channel with an IC50 value of 78 μM. ADL-5859 hydrochloride can be used for the research of pain[1][2].
butanedioic acid,sulfo-,4-dodecyl 1-(2-propenyl)ester,sodium salt
C19H33NaO7S (428.1844588000001)
LOXO-101
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 > C155765 - TRK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Dopexamine hydrochloride
D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Dopexamine hydrochloride is a β2 adrenergic receptor agonist.
pseudoephedrine sulfate
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist
Ephedrine sulfate
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents
N-[2-(2,4-Diaminopyrido[2,3-D]pyrimidin-7-Yl)-2-Methylpropyl]-4-Phenoxybenzamide
C24H24N6O2 (428.19606439999995)
9-Cyclopentyl-6-[2-(3-imidazol-1-YL-propoxy)-phenylamino]-9H-purine-2-carbonitrile
C23H24N8O (428.20729739999996)
2-Methyl-1-[1,3,7,9-tetrahydroxy-4,6-dimethyl-8-(2-methyl-1-oxobutyl)-2-dibenzofuranyl]-1-butanone
3-Methyl-1-[1,3,7,9-tetrahydroxy-2,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-dibenzofuranyl]-1-butanone
N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide
CAY10594 is a potent phospholipase D2 (PLD2) inhibitor both in vitro (IC50=140 nM) and in cells (IC50=110 nM)[1]. CAY10594 strongly inhibits the invasive migration of breast cancer cells in vitro and ameliorates acetaminophen-induced acute liver injury by regulating the phosphorylated-GSK-3β/JNK axis[2].
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] dodecanoate
C18H37O9P (428.21750820000005)
A922500
A 922500 (DGAT-1 Inhibitor 4a) is a potent, selective, and orally bioavailable diacylglycerol acyltransferase 1 (DGAT-1) inhibitor with IC50s of 9 and 22 nM against human and mouse DGAT-1, respectively.
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
C24H24N6O2 (428.19606439999995)
Methyl (1S,4aS,5aR,6R,10aS)-6,7-dimethoxy-1-methyl-2-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3-1H-indole]-4-carboxylate
2-[[4-(2,3-Dimethylphenyl)-1-piperazinyl]-oxomethyl]-1,5-dimethyl-4-pyrrolo[3,2-c]quinolinone
4-(2-azaspiro[5.5]undecan-2-ylsulfonyl)-N-butan-2-ylbenzenesulfonamide
[4-[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-pyridinyl)methanone
C24H24N6O2 (428.19606439999995)
N-[2-(2-benzamidoethyl)-1-methyl-5-benzimidazolyl]-2-methoxybenzamide
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1-methyl-4-piperidinylidene)amino]acetamide
N-(3-fluoro-4-methylphenyl)-4-[3-(4-methyl-1-piperidinyl)propylamino]-3-nitrobenzamide
11-{[(E)-furan-2-ylmethylidene]amino}-3-hexyl-2-methyl-3,11-dihydro-4H-pyrimido[5,4:4,5]pyrrolo[2,3-b]quinoxalin-4-one
C24H24N6O2 (428.19606439999995)
[(2S,3R)-6-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-(phenylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C27H28N2O3 (428.20998180000004)
N-(cyclohexylmethyl)-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
N-(cyclohexylmethyl)-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
N-(cyclohexylmethyl)-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
N-(cyclohexylmethyl)-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
N-(cyclohexylmethyl)-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
1-[(3aS,4R,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
C27H28N2O3 (428.20998180000004)
1-[(2S,3R)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-(phenylmethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C27H28N2O3 (428.20998180000004)
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-(phenylmethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C27H28N2O3 (428.20998180000004)
1-[(2S,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
C23H28N2O4S (428.17696880000005)
1-[(2R,3S)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
C23H28N2O4S (428.17696880000005)
N-(cyclohexylmethyl)-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
N-(cyclohexylmethyl)-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
N-(cyclohexylmethyl)-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide
2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
[(3aR,4R,9bR)-8-(1-cyclohexenyl)-1-[(1-methyl-4-imidazolyl)sulfonyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol
1-[(3aR,4S,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
C27H28N2O3 (428.20998180000004)
1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
C27H28N2O3 (428.20998180000004)
1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone
C27H28N2O3 (428.20998180000004)
1-[(2S,3S)-2-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]-2-(2-pyridinyl)ethanone
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-(phenylmethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C27H28N2O3 (428.20998180000004)
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-(phenylmethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C27H28N2O3 (428.20998180000004)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-(phenylmethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C27H28N2O3 (428.20998180000004)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(4-methoxyphenyl)phenyl]-4-(phenylmethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C27H28N2O3 (428.20998180000004)
1-[(2S,3R)-2-(hydroxymethyl)-3-[4-(3-methylphenyl)phenyl]-1-methylsulfonyl-1,6-diazaspiro[3.3]heptan-6-yl]-1-propanone
C23H28N2O4S (428.17696880000005)
2-[[(2R)-2-(8-carboxyoctanoyloxy)-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO9P+ (428.20493300000004)
2-[[(2R)-3-(8-carboxyoctanoyloxy)-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
C17H35NO9P+ (428.20493300000004)
methyl (1S,6R)-6,7-dimethoxy-1-methyl-2-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3-1H-indole]-4-carboxylate
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate
C18H37O9P (428.21750820000005)
(2-hydroxy-3-phosphonooxypropyl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
C21H33O7P (428.19637980000005)
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] hexanoate
[1-[(2-Butanoyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] heptanoate
[1-Hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] octanoate
[1-[(2-Acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] nonanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] hexanoate
[1-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] octanoate
[1-Acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] nonanoate
[1-Butanoyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] heptanoate
1-dodecanoyl-glycero-3-phospho-(1-sn-glycerol)
C18H37O9P (428.21750820000005)
Zaldaride
C78276 - Agent Affecting Digestive System or Metabolism > C266 - Antidiarrheal Agent D005765 - Gastrointestinal Agents > D000930 - Antidiarrheals
cratoxylumxanthone C
A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 6 and 7, 3-methylbut-2-en-1-yl group at position 2, methoxy group at position 3, and a 3-hydroxy-3-methylbutyl group at position 8. It is isolated from the stems of Cratoxylum cochinchinense and exhibits anticancer activity.
GSK2194069
GSK2194069 is a potent inhibitor of β-ketoyl reductase (KR) of fatty acid synthase (FASN), with an IC50 value of 7.7 nM. GSK2194069 shows specifically inhibitory effect on FAS expressing cancer cells, by acting potent efficacy on acetoacetyl-CoA, NADPH with IC50 or Ki values of 4.8 nM and 5.6 nM, respectively[1][2][3].
3,4a,5-trimethyl-6-[(2-methylbut-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl 3-methylbut-2-enoate
(4ar,5r,8ar,9as)-5-hydroxy-3,8a-dimethyl-5-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-4h,4ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
(9r,10r)-8,8-dimethyl-10-[(3-methylbutanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl (2z)-2-methylbut-2-enoate
(1s,2r,4r,7z,11s,12s)-4,12-dimethyl-8-({[(2s,3s,4r,5r,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-13-one
(3s,3as,9r,11as)-6-(hydroxymethyl)-3,10-dimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(3s,3ar,4ar,5s,6r,7ar,9ar)-5-hydroxy-3,5,8-trimethyl-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-2-one
(3s,3as,5ar,6r,9s,9as,9bs)-3,5a,9-trimethyl-6-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3h-naphtho[1,2-b]furan-2,8-dione
(3s,3as,9s,11ar)-6-(hydroxymethyl)-3,10-dimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
19-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-triene-8,17-dione
(3s,3ar,4s,6s,7r,7as)-6-ethenyl-4-hydroxy-3,6-dimethyl-7-[(1e)-1-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl]-hexahydro-1-benzofuran-2-one
3,4a,5-trimethyl-6-[(3-methylbut-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-4-yl 3-methylbut-2-enoate
3,5a-dimethyl-2-oxo-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-decahydronaphtho[1,2-b]furan-9-carbaldehyde
3,6,8-trihydroxy-1-[(3s)-3-hydroxy-3,7-dimethyloct-6-en-1-yl]-2-methoxyxanthen-9-one
9-(hydroxymethyl)-5a-methyl-3-methylidene-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-octahydro-3ah-naphtho[1,2-b]furan-2-one
20-hydroxy-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.0³,¹¹.0⁵,⁹.0¹⁴,¹⁹]henicosa-3,5(9),10-triene-8,17-dione
5,9a-dihydroxy-5b,9,9,11a-tetramethyl-2-(penta-1,3-dien-1-yl)-5,5a,6,7,10,11-hexahydro-1,12-dioxatetraphene-4,8-dione
(3s,3as,9s,11as)-6-(hydroxymethyl)-3,10-dimethyl-9-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3h,3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
6-ethenyl-4-hydroxy-3,6-dimethyl-7-(1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}prop-1-en-2-yl)-hexahydro-1-benzofuran-2-one
methyl (1's,3r,4'as,5'as,10'as)-2-hydroxy-6,7-dimethoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
9-chloro-4,6-dihydroxy-12-methyl-12-(4-methylpent-3-en-1-yl)-15-(propan-2-ylidene)-11-oxatetracyclo[8.6.0.0¹,¹³.0²,⁷]hexadeca-2,4,6,9-tetraen-8-one
C25H29ClO4 (428.17542640000005)