Exact Mass: 348.0932436
Exact Mass Matches: 348.0932436
Found 500 metabolites which its exact mass value is equals to given mass value 348.0932436
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Camptothecin
Camptothecin is a pyranoindolizinoquinoline that is pyrano[3,4:6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). It has a role as an EC 5.99.1.2 (DNA topoisomerase) inhibitor, an antineoplastic agent, a genotoxin and a plant metabolite. It is a pyranoindolizinoquinoline, a tertiary alcohol, a delta-lactone and a quinoline alkaloid. Camptothecin is an alkaloid isolated from the stem wood of the Chinese tree, Camptotheca acuminata. This compound selectively inhibits the nuclear enzyme DNA topoisomerase, type I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity. Camptothecin is a natural product found in Archidendron lucidum, Merrilliodendron megacarpum, and other organisms with data available. Camptothecin is an alkaloid isolated from the Chinese tree Camptotheca acuminata, with antineoplastic activity. During the S phase of the cell cycle, camptothecin selectively stabilizes topoisomerase I-DNA covalent complexes, thereby inhibiting religation of topoisomerase I-mediated single-strand DNA breaks and producing potentially lethal double-strand DNA breaks when encountered by the DNA replication machinery. (NCI) An alkaloid isolated from the stem wood of the Chinese tree, Camptotheca acuminata. This compound selectively inhibits the nuclear enzyme DNA TOPOISOMERASES, TYPE I. Several semisynthetic analogs of camptothecin have demonstrated antitumor activity. A pyranoindolizinoquinoline that is pyrano[3,4:6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3]. Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3].
Inosine 5'-monophosphate (IMP)
Inosinic acid, also known as inosine monophosphate, IMP, 5-inosinate or 5-IMP, belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. IMP is also classified as a nucleotide (a nucleoside monophosphate). Inosinic acid exists in all living species, ranging from bacteria to plants to humans. IMP is widely used as a flavor enhancer. In the food industry it is known as E number reference E630. Inosinic acid can be converted into various salts including disodium inosinate (E631), dipotassium inosinate (E632), and calcium inosinate (E633). These three inosinate compounds are used as flavor enhancers for the basic taste umami. These inosinate salts are mostly used in soups, sauces, and seasonings for the intensification and balance of the flavor of meat. Inosinic acid is typically obtained from chicken byproducts or other meat industry waste. Inosinic acid or IMP is important in metabolism. It is the ribonucleotide of hypoxanthine and the first nucleotide formed during the synthesis of purine nucleotides. It can also be formed by the deamination of adenosine monophosphate by AMP deaminase. GMP is formed by the inosinate oxidation to xanthylate (XMP). Within humans, inosinic acid participates in a number of enzymatic reactions. In particular, inosinic acid can be converted into phosphoribosyl formamidocarboxamide; which is catalyzed by the bifunctional purine biosynthesis protein. In addition, inosinic acid can be converted into xanthylic acid; which is catalyzed by the enzyme inosine-5-monophosphate dehydrogenase 1. Origin: Microbe; Formula(Parent): C10H13N4O8P; Bottle Name:Inosine-5-monophosphate; PRIME Parent Name:Inosine-5-monophosphate; PRIME in-house No.:0258, Purines A purine nucleotide which has hypoxanthine as the base and one phosphate group esterified to the sugar moiety. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.056 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.057 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Inosinic acid is an endogenous metabolite.
Chelerythrine
Chelerythrine is a benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor, an antibacterial agent and an antineoplastic agent. It is a benzophenanthridine alkaloid and an organic cation. A benzophenanthridine alkaloid evaluated as a kinase-inhibitor. Chelerythrine is a natural product found in Zanthoxylum fagara, Zanthoxylum mayu, and other organisms with data available. Chelerythrine is a benzophenanthridine alkaloid extracted from the plant Greater celandine (Chelidonium majus). It is a potent, selective, and cell-permeable protein kinase C inhibitor. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae. D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
Doxefazepam
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CD - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
1,2,3,4-Tetrahydro-alpha,7-dihydroxy-beta-(hydroxymethyl)-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-propanal
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde is considered to be slightly soluble (in water) and acidic
Verinurad
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C26170 - Protective Agent > C921 - Uricosuric Agent
Succisulfone
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent
Torasemide
C16H20N4O3S (348.12560500000006)
Torasemide (rINN) or torsemide (USAN) is a pyridine-sulfonylurea type loop diuretic mainly used in the management of edema associated with congestive heart failure. It is also used at low doses for the management of hypertension. It is marketed under the brand name Demadex. [Wikipedia] D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
5,7,8-trihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-3,4-dihydro-2H-1-benzopyran-4-one
Riboflavin reduced
Riboflavin reduced is an intermediate in the metabolism of Porphyrin and chlorophyll. It is a substrate for Flavin reductase.
Inosine 2'-phosphate
Inosine 2-phosphate is an inosine nucleotide containing a pyrophosphate group esterified to C2 of the sugar moiety. Inosine 2-phosphate is a product of 2,3-cyclic-nucleotide 3-phosphodiesterase (EC 3.1.4.37). This enzyme (also called CNP) catalyzes the chemical reaction: nucleoside 2,3-cyclic phosphate + H2O <-> nucleoside 2-phosphate. 2,3-cyclic nucleotide 3-phosphodiesterase is a myelin-associated enzyme that makes up 4\\% of total CNS myelin protein, and is thought to undergo significant age-associated changes. The absence of CNP causes axonal swelling and neuronal degeneration. [HMDB] Inosine 2-phosphate is an inosine nucleotide containing a pyrophosphate group esterified to C2 of the sugar moiety. Inosine 2-phosphate is a product of 2,3-cyclic-nucleotide 3-phosphodiesterase (EC 3.1.4.37). This enzyme (also called CNP) catalyzes the chemical reaction: nucleoside 2,3-cyclic phosphate + H2O <-> nucleoside 2-phosphate. 2,3-cyclic nucleotide 3-phosphodiesterase is a myelin-associated enzyme that makes up 4\\% of total CNS myelin protein, and is thought to undergo significant age-associated changes. The absence of CNP causes axonal swelling and neuronal degeneration.
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is found in pomes. N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is a constituent of the shoots of apple and pear trees. Constituent of the shoots of apple and pear trees. N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine is found in pomes.
20R-Camptothecin
5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
Clofop-isobutyl
C19H21ClO4 (348.11282960000005)
Dansylproline
C17H20N2O4S (348.11437200000006)
Equilin sulfate
C18H20O5S (348.10313900000006)
N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycine
C17H17FN2O5 (348.11214440000003)
GSK360A is a potent and orally active HIF-PHD inhibitor with IC50 values of 10, 100, and 126 nM for PHD1, PHD2, and PHD3, respectively. GSK360A activates the HIF-1 alpha pathway and protect the failing heart after myocardial infarction (MI) [1].
PI-103
C19H16N4O3 (348.12223459999996)
PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4]. PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4].
Relebactam
C12H20N4O6S (348.11035000000004)
[(2R,5R)-3,4-Dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
Flavour enhancer
Verinurad
D018501 - Antirheumatic Agents > D006074 - Gout Suppressants C26170 - Protective Agent > C921 - Uricosuric Agent
8-Demethylthymonin
8-demethylthymonin is a member of the class of compounds known as 7-o-methylated flavonoids. 7-o-methylated flavonoids are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. 8-demethylthymonin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 8-demethylthymonin can be found in common thyme, which makes 8-demethylthymonin a potential biomarker for the consumption of this food product.
Dehydrocavidine
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl- is a natural product found in Fumaria capreolata, Fumaria indica, and other organisms with data available.
Taiwanin C
A furonaphthodioxole that is furo[3,4:6,7]naphtho[2,3-d][1,3]dioxol-6(8H)-one substituted by a 1,3-benzodioxol-5-yl group at position 5. It is a naturally occurring lignan extracted from Taiwania cryptomerioides and found to be a potential inhibitor of COX2 expression.
Helioxanthin
A furonaphthodioxole that is furo[3,4:6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one substituted by a 1,3-benzodioxol-5-yl group at posiiton 10. It is a inhibitor of HBV, HCV and HSV-1 viruses.
2,7-Dihydroxy-3-(4-hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene
2H-Naphtho[2,3-b]pyran-6,9-dione,3,4-dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-,(2R,4S)-
1-(4-Hydroxybenzyl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
5,8-Dimethoxy-3-(3-methyl-2,3-dihydroxybutyl)-psoralen
Erybraedin E
2-(1,1-Dimethyl-2-propenyl)-3-[2-(methylformylamino)ethyl]-6-bromo-1H-indole
Dryopteric acid
6,6-Dimethyl-3,4-methylenedioxypyrano[2,3:7,8]flavone
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)phenyl]acetamide
O1-[4-(tert-Butyl)benzoyl]-2-(2-thienylthio)ethanehydroximamide
3(2-Chlorophenyl)-7-hydroxy-4-phenylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.266 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.265 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.268
3-Benzyloxy-2-phenyl-benzo[b]thiophen-1,1-dioxid|3-benzyloxy-2-phenyl-benzo[b]thiophene 1,1-dioxide
18-Bromo-(17Z)-octadeca-17-ene-5,7,15-triynoic acid
3,5-dihydroxybiphenyl-4-C-beta-glucopyranoside|calophymembranside A
1-Hydroxy,1-Me ether-8-Ethyl-1,11-dihydroxy-5,12-naphthacenedione|11-deoxybisanhydro-13-dihydrodaunomycinone
4-[alpha-(Hydroxymethyl)-4,beta-dihydroxy-3-methoxyphenethyloxy]-3-methoxybenzaldehyde
3-hydroxy-4-(3-methyl-2-butenyl)-furo[2,3:8,9] [6aR,11aR]pterocarpan|morisianine
(12bS)-2,3-dihydro-8,11-dimethoxy-12b-methyl-1H-benzo<6,7>phenanthro<10,1-bc>furan-6(12bH)-one|xestoquinol dimethyl ether
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 4-methylbenzenesulfonate
C14H20O8S (348.08788400000003)
1,3-Dihydroxy-2,4,5,7-tetramethoxy-9H-xanthene-9-one
(4R)-7c,8c-Diaethyl-9t-hydroxy-4-methyl-cycloonna-1,5-dien-1,2,4r,5-tetracarbonsaeure-1,2;4,5-dianhydrid|(4R)-7c,8c-diethyl-9t-hydroxy-4-methyl-cyclonona-1,5-diene-1,2,4r,5-tetracarboxylic acid-1,2;4,5-dianhydride|Glauconic acid|Glauconsaeure
(E)-2,3-dihydroxy-2-(4-hydroxybenzyl)-5-methoxystilbene
(5S*,6R*,7S*)-5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
5-acetoxymethylen-2-(4-acetoxy-but-3-inyl)-dithiophene|5-acetoxymethylen-2-<4-acetoxy-but-3-inyl>-dithiophene|Di-Ac-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
4-ethyl 4-methyl 2,3,5,6-tetrahydroxy[1,1-biphenyl]-4,4-dicarboxylate
erylysin B|furano[5,4:3,4]-9-hydroxy-10-prenylpterocarpan
Di-Ac-4-[5-Methyl-[2,2-bithiophen]-5-yl]-3-butyne-1,2-diol
3-Methyl 2-butenoic acid 2-(6-acetyl-5-hydroxybenzofuran-2-yl)-2,3-dihydroxypropyl ester
Isobyak-angelicolsaeuremethylester|Isobyakangelicolsaeuremethylester
2-(4-hydroxy-3-methoxy-phenyl)-5,7-dimethoxy-chroman-3,4-diol
15-O-desmethyl-(5Z)-7-oxo-zeaenol|15-O-desmethyl-5Z-7-oxozeaenol
crassifogenin C
A norlignan that is 3-deoxypentodialdo-5,4-oxirose substituted at positions 1 and 4 by 3,4-dihydroxyphenyl groups. It is isolated from the rhizomes of Curculigo crassifolia and exhibits strong radical scavenging activity.
(1R*,5S*,9S*,13R*,14R*)-11,14,16-trihydroxy-10,17-dimethyl-3,7-dioxapentacyclo[11.4.0.01,5.05,9.09,14]heptadeca-10,16-diene-4,12,15-trione|epicolactone
(2S,3R,7R)-4-hydroxy-2-[(1E)-3-methylbut-1,3-dienyl]-3,7-[2-methylprop-2-enyl]-2,3-dihydroxanthene-1,4-dione|ehretiquinone
2-C-beta-D-glucopyranosyl-1-methoxyindole-3-acetonitrile
(3R)-7,1?4-trihydroxy-6,2?3-trimethoxyisoflavan|abruquinone L
(5R,6R)-6-{2-[(1E)-1-(5-chloro-1H-pyrrol-2-yl)prop-1-en-2-yl]-1,3-oxazol-4-yl}-4-methoxy-5-methyl-5,6-dihydro-2H-pyran-2-one|pyrronazol B
4-Methoxyagarotetrol
methyl (R)-3-[2-(3,4-dihydroxybenzoyl)-4,5-dihydroxyphenyl]-2-hydroxypropanoate
5-hydroxy-2-isopropenyl-3-methoxyfurane-(2,3:7,8)-flavone
(4RS,9bSR)-2,4,5,9b-tetrahydro-7,9,9b-trimethoxy-3-methyl-5-oxonaphtho[1,2-b]furan-4-yl acetate|colelomycerone B
6,7-Dimethoxy-8-(1-acetoxy-3-methyl-2-oxobutyl)-2H-1-benzopyran-2-one
(8beta)-10-bromo-3-chloro-2,7-epoxychamigr-9-en-8-ol|rel-(2R,3S,5aR,9S,9aR)-7-bromo-3-chloro-2,3,4,5,9,9a-hexahydro-3,6,6,9a-tetramethyl-6H-2,5a-methano-1-benzoxepin-9-ol
(E)-2,5-dihydroxy-2-(4-hydroxybenzyl)-3-methoxystilbene
3beta-(3,5-dihydroxyphenyl)-2alpha-(4-hydroxyphenyl)dihydrobenzofuran-5-carbaldehyde
(3S,4S,5R,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrayl tetraacetate
5-methyl-[5-(3-hydroxy-4-isovaleroxy-1-butynyl)]-2,2-bithiophene
C18H20O3S2 (348.08538100000004)
9alpha-hydroxy-8beta-methacryloyloxy-14-oxo-acanthospermolide-4alpha,5beta-epoxide
Nalpha-(2-carboxymethyl-2-hydroxysuccinyl)arginine|Nalpha-(2-hydroxy-2carbonylsuccinyl)-L-arginine
(7E,13E,17E)-form-18-Bromo-7,13,17-octadecatriene-5,15-diynoic acid
2-Methyl-7-(2-methyl-4,6-dihydroxybenzoyl)naphtho[1,8-bc]pyran-8-ol
4,9-Dimethoxy-6-(2,3-dihydroxy-3-methylbutyl)-7H-furo[3,2-g][1]benzopyran-7-one
Chaetocyclinone A
An organic heterotricyclic compound that is 1H,10H-pyrano[4,3-b]chromene substituted by methoxy, methyl, hydroxy, methoxy, methoxycarbonyl, and oxo groups at positions 1, 3, 6, 7, 9 and 10, respectively. It is produced by cultures of Chaetomium sp. Goe 100/2, which was isolated from marine algae.
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
Torsemide
C16H20N4O3S (348.12560500000006)
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators CONFIDENCE standard compound; INTERNAL_ID 2365 CONFIDENCE standard compound; INTERNAL_ID 8192 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3145
Campathecin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.029 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.030 Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3]. Camptothecin (CPT), a kind of alkaloid, is a DNA topoisomerase I (Topo I) inhibitor with an IC50 of 679 nM[1]. Camptothecin (CPT) exhibits powerful antineoplastic activity against colorectal, breast, lung and ovarian cancers, modulates hypoxia-inducible factor-1α (HIF-1α) activity by changing microRNAs (miRNA) expression patterns in human cancer cells[2][3].
2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
5-hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-3-methoxybenzoic acid
Inosinic acid
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials, COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Inosinic acid is an endogenous metabolite.
2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based: Match]
2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid [IIN-based on: CCMSLIB00000847922]
Ala Asp Gly Ser
Ala Asp Ser Gly
Ala Gly Asp Ser
Ala Gly Ser Asp
Ala Ser Asp Gly
Ala Ser Gly Asp
Asp Ala Gly Ser
Asp Ala Ser Gly
Asp Gly Ala Ser
Asp Gly Gly Thr
Asp Gly Ser Ala
Asp Gly Thr Gly
Asp Ser Ala Gly
Asp Ser Gly Ala
Asp Thr Gly Gly
Glu Gly Gly Ser
Glu Gly Ser Gly
Glu Ser Gly Gly
Gly Ala Asp Ser
Gly Ala Ser Asp
Gly Asp Ala Ser
Gly Asp Gly Thr
Gly Asp Ser Ala
Gly Asp Thr Gly
Gly Glu Gly Ser
Gly Glu Ser Gly
Gly Gly Asp Thr
Gly Gly Glu Ser
Gly Gly Ser Glu
Gly Gly Thr Asp
Gly Ser Ala Asp
Gly Ser Asp Ala
Gly Ser Glu Gly
Gly Ser Gly Glu
Gly Thr Asp Gly
Gly Thr Gly Asp
Ser Ala Asp Gly
Ser Ala Gly Asp
Ser Asp Ala Gly
Ser Asp Gly Ala
Ser Glu Gly Gly
Ser Gly Ala Asp
Ser Gly Asp Ala
Ser Gly Glu Gly
Ser Gly Gly Glu
Thr Asp Gly Gly
Thr Gly Asp Gly
Thr Gly Gly Asp
PI-103
C19H16N4O3 (348.12223459999996)
PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4]. PI-103 is a potent PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 also inhibits DNA-PK with an IC50 of 2 nM. PI-103 induces autophagy[1][2][3][4].
N2-(2-Carboxymethyl-2-hydroxysuccinoyl)arginine
18-bromo-9E,15E,17E-octadecatrien-5,7-diynoic acid
1H-Indole,1-(phenylmethyl)-3-[2-(4-pyridinyl)ethyl]-, hydrochloride (1:1)
1,1-Binaphthyl-2,2-diyl hydrogenphosphate
C20H13O4P (348.05514280000006)
4-AMINOPHENYL 2-ACETAMIDO-2-DEOXY-α-D-GALACTOPYRANOSIDE HYDROCHLORIDE
alpha-(4-Methoxybenzoyl)-2-chloro-4-nitroacetanilide
C16H13ClN2O5 (348.05129580000005)
3,4,6-Tri-O-acetyl-b-D-mannopyranose1,2-(methylorthoacetate)
1,6-Dideoxy-1,1-bis(ethylsulfonyl)-L-mannitol
C11H24O8S2 (348.09125439999997)
2-NAPHTHALEN-2-YLMETHYL-SUCCINICACID1-BENZYL ESTER
2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]oxane-3,4,5-triol
C14H20O8S (348.08788400000003)
(R)-(-)-1,1-Binaphthyl-2,2-diyl hydrogenphosphate
C20H13O4P (348.05514280000006)
2-PHENYL-2-(2-PHENYL-1H-INDOL-3-YL)ETHANAMINE HYDROCHLORIDE
butyl prop-2-enoate,chloroethene,ethenyl acetate,prop-2-enoic acid
(S)-(+)-1,1-Binaphthyl-2,2-diyl hydrogenphosphate
C20H13O4P (348.05514280000006)
Ethyl 2-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-1,3 -thiazole-4-carboxylate
C17H20N2O4S (348.11437200000006)
METHYL 4-(3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)BENZOATE
C17H11F3N2O3 (348.07217319999995)
2-ETHOXY-5-[(MORPHOLINE-4-CARBONYL)-AMINO]-BENZENESULFONYL CHLORIDE
C13H17ClN2O5S (348.05466620000004)
2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium,chloride
10-(2-Naphthyl)anthracene-9-boronic acid
C24H17BO2 (348.13215319999995)
9-(1-Naphthyl)anthracene-10-boronic acid
C24H17BO2 (348.13215319999995)
3-(5-Cyano-2-hydroxy-1,4-dimethyl-6-oxo-1,6-dihydropyridin-3-ylazo)benzenesulfonicacid
ETHYL 2-((2-AMINOETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-METHYLNICOTINATE
2,2,3,3,4,4-hexafluoro-1,5-pentyl dimethacrylate
C13H14F6O4 (348.07962360000005)
5-(4-chlorophenyl)-N-quinolin-6-ylfuran-2-carboxamide
2,5-BIS(METHOXYCARBONYL)-3,4-DIPHENYLCYCLOPENTADIENONE
2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Glucopyranoside
C12H13FN2O9 (348.06050600000003)
4-AMINO-N-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)BENZAMIDE
2-(3-methylphenyl)-3,5-diphenyltetrazol-3-ium,chloride
10-(4-methylphenyl)-7-nitropyrimido[4,5-b]quinoline-2,4-dione
C18H12N4O4 (348.08585120000004)
(4-nitrophenyl)methyl 6-(1-hydroxyethyl)-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
AZD1480
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C125450 - JAK2 Inhibitor
Relebactam
C12H20N4O6S (348.11035000000004)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
[trans(trans)]-4-(Iodomethyl)-4-propyl-1,1-bicyclohexyl
6-(Trifluoromethyl)-2-pyridinemethanol 2-(4-methylbenzenesulfonate)
C14H13F3NO4S (348.05173540000004)
OC000459
C21H17FN2O2 (348.12739939999994)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C177182 - Prostaglandin Receptor Antagonist
Benzoic acid,3,5-bis(phenylmethoxy)-, methyl ester
DI-O-TOLYLPHOSPHONOACETIC ACID ETHYL ESTER
C18H21O5P (348.11265460000004)
N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
(4,5-Dihydro-2-methylimidazo[4,5-d][1]benzazepin-6(1H)-yl)(4-nitrophenyl)methanone
C19H16N4O3 (348.12223459999996)
2H-1-Benzopyran-7-ol, 3,4-dihydro-3,4-bis(4-hydroxyphenyl)-8-methyl-, (3R,4S)-
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 > C163758 - Targeted Therapy Agent > C2201 - mTOR Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Flumizole
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(4R)-2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-4,5-dihydro-1,3-thiazole-4-carboxamide
C15H16N4O4S (348.08922160000003)
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide
C17H11F3N2O3 (348.07217319999995)
Equilin sulfate
C18H20O5S (348.10313900000006)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Lactucin 15-oxalate
A sesquiterpene lactone obtained by formal condensation of one of the carboxy groups of oxalic acid with the 15-hydroxy group of lactucin. Found in chicory.
1-(8-Quinolinylsulfonyl)-3-piperidinecarboxylic acid ethyl ester
C17H20N2O4S (348.11437200000006)
5-[(6-Methoxy-1,3-benzothiazol-2-yl)amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester
3-(2-Chlorophenyl)-7-hydroxy-4-phenylchromen-2-one
N,N-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide
C18H16N6O2 (348.13346759999996)
(5z)-3-(4-Chlorophenyl)-4-Hydroxy-5-(1-Naphthylmethylene)furan-2(5h)-One
18-Chloro-11,12,13,14-Tetrahydro-1h,10h-8,4-(Azeno)-9,15,1,3,6-Benzodioxatriazacycloheptadecin-2-One
2,4-Dinitrophenyl 2-Deoxy-2-Fluoro-Beta-D-Mannopyranoside
C12H13FN2O9 (348.06050600000003)
toddaline
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000970 - Antineoplastic Agents
5-Hydroxy-2-(3-hydroxy-2-methoxycarbonyl-5-methylphenoxy)-3-methoxybenzoic acid
2-Hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid
D065128 - Endothelin Receptor Antagonists
coelimycin P1
C17H20N2O4S (348.11437200000006)
An organosulfur heterocyclic compound that is 1,5-oxathiocane which has been substituted at the 2-pro-R, 3, 6, and 8 positions by oxo, acetamido, 5,6-dihydropyridin-2(1H)-ylidene, and (2E)-but-2-enoyl groups, respectively, and which has been dehydrogenated to introduce a double bond at the 7-8 position. It was isolated from Streptomyces coelicolor M145 after genetically engineered increase of the metabolic flux and is the product of a polyketide biosynthetic gene cluster.
2,4-DINITROPHENYL-2-FLUORO-2-DEOXY-BETA-D-GLUCOPYRANOSIDE
C12H13FN2O9 (348.06050600000003)
N-[(3R)-8-[(2E)-but-2-enoyl]-6-(5,6-dihydropyridin-2-yl)-2-oxo-4,8-dihydro-3H-1,5-oxathiocin-3-yl]acetamide
C17H20N2O4S (348.11437200000006)
[5-(2,6-dioxo-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
(2S)-5-[[(2R)-3-acetylsulfanyl-1-(carboxylatomethylamino)-1-oxopropan-2-yl]amino]-2-azaniumyl-5-oxopentanoate
Sulfuric acid mono-[7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diaza-bicyclo[3.2.1]oct-6-yl] ester
C12H20N4O6S (348.11035000000004)
15-O-desmethyl-(5Z)-7-oxozeaenol
A macrolide that is a 14-memebered macrocycle fused to a 1,3-dihydroxybenzene. Isolated from Fungi, it exhibits inhibitory activity against NF-kappaB.
N-(bicyclo[2.2.1]hept-2-ylcarbonyl)-3-chloro-1-benzothiophene-2-carbohydrazide
4-(4-Quinoxalin-2-ylphenoxy)benzene-1,2-dicarbonitrile
(5Z)-5-[(2,5-dimethoxy-4-pyrrolidin-1-ylphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
C17H20N2O4S (348.11437200000006)
4-Chloro-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester
C16H13ClN2O5 (348.05129580000005)
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenyl-sulfanylidenephosphorane
N1-Protonated adenosine-5-monophosphate
C10H15N5O7P+ (348.07090700000003)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-[4-(4-Butyl-phenyl)-thiazol-2-yl]-3-(5-methyl-furan-2-yl)-acrylonitrile
N-(1,3-dioxo-2-phenyl-5-isoindolyl)-2-thiophenecarboxamide
C19H12N2O3S (348.0568602000001)
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
mitomycin B(1-)
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
mitomycin A(1-)
An organic anion obtained by removal of the acidic proton from position 8 of mitomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
N-(1H-benzimidazol-2-yl)-1-ethyl-2-hydroxy-4-oxoquinoline-3-carboxamide
C19H16N4O3 (348.12223459999996)
2-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]isoindole-1,3-dione
4-methoxy-N1,N3-bis(3-pyridinyl)benzene-1,3-dicarboxamide
C19H16N4O3 (348.12223459999996)
2-[[(2,3-Dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide
C17H20N2O4S (348.11437200000006)
2-Benzamido-4,5-dihydrobenzo[g][1]benzothiole-3-carboxamide
3-(2-chloro-6-fluorophenyl)-N-(2-hydroxy-5-methylphenyl)-4,5-dihydroisoxazole-5-carboxamide
5-chloro-N-[2-(2-furanyl)-2-(1-pyrrolidinyl)ethyl]-2-methoxybenzamide
2-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
C17H20N2O4S (348.11437200000006)
N-cycloheptyl-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide
C16H20N4O3S (348.12560500000006)
2-[(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
3,4-Diethoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester
(4-Chloro-2-methyl-3-pyrazolyl)-[4-(2-ethoxyphenyl)-1-piperazinyl]methanone
6-Propyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[1-[(2-bromophenyl)methyl]-2-oxo-3-pyridinyl]butanamide
C16H17BrN2O2 (348.04733219999997)
N-[3-[(1,3-dioxo-5-isoindolyl)oxy]phenyl]-2-furancarboxamide
C19H12N2O5 (348.07461820000003)
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
C19H16N4O3 (348.12223459999996)
2-[(5-amino-7-methyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio]-N-(4-chlorophenyl)acetamide
C14H13ClN6OS (348.05600380000004)
2-[5-amino-1-(2-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
C19H16N4O3 (348.12223459999996)
3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide
C17H20N2O4S (348.11437200000006)
1-Tert-butyl-5-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C17H18ClFN4O (348.11530999999997)
1-Tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
C17H18ClFN4O (348.11530999999997)
(3E)-N-(3,5-dichloroanilino)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboximidoyl cyanide
Asp-Gln-Ser
A tripeptide composed of L-aspartic acid, L-glutamine and L-serine joined in sequence by peptide linkages.
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-4-chlorobenzenesulfonamide
3-(2-chloro-7-methoxy-10-phenothiazinyl)-N,N-dimethyl-1-propanamine
C18H21ClN2OS (348.10630460000004)
(1S,2S,4aR,4bR,7S,9aR,10S,10aR)-2,7-dihydroxy-1-methyl-8,13-dioxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
5,7-Dihydroxy-2-(1-hydroxy-3,5-dimethoxy-4-oxocyclohex-2-en-1-yl)chromen-4-one
2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
2-(2,5-Dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxychromen-4-one
5-(5-(6-Chloro-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
alpha-(1,2-Dihydroxyethyl)-1,2,3,4-tetrahydro-7-hydroxy-9-methoxy-3,4-dioxocyclopenta[c][1]benzopyran-6-acetaldehyde
5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
adenosine 5-monophosphate(1+)
C10H15N5O7P (348.07090700000003)
An organic cation that is the conjugate acid of adenosine 5-monophosphate (AMP) obtained by selective protonation at position N1 on the purine moiety.
BPR1M97
BPR1M97 is a dual-acting mu opioid receptor (MOP) and nociceptin-orphanin FQ peptide (NOP) receptor agonist with Ki values of 1.8 and 4.2 nM, respectively. BPR1M97 shows high potency and blood-brain barrier penetration, and produces potent antinociceptive effects[1].
Cyclo(his-pro) (TFA)
Cyclo(his-pro) TFA (Cyclo(histidyl-proline) TFA) is an orally active cyclic dipeptide structurally related to tyreotropin-releasing hormone[1]. Cyclo(his-pro) TFA could inhibit NF-κB nuclear accumulation. Cyclo(his-pro) TFA can cross the brain-blood-barrier and affect diverse inflammatory and stress responses[2].