Exact Mass: 348.096
Exact Mass Matches: 348.096
Found 500 metabolites which its exact mass value is equals to given mass value 348.096,
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].
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
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.
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
Equilin sulfate
N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycine
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
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
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.
2H-Naphtho[2,3-b]pyran-6,9-dione,3,4-dihydro-4,5,10-trihydroxy-8-methoxy-2-(2-oxopropyl)-,(2R,4S)-
5,8-Dimethoxy-3-(3-methyl-2,3-dihydroxybutyl)-psoralen
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-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
(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methyl 4-methylbenzenesulfonate
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
(5S*,6R*,7S*)-5,6,7-trihydroxy-2-(3-hydroxy-4-methoxyphenethyl)-5,6,7,8-tetrahydro-4H-chromen-4-one
4-ethyl 4-methyl 2,3,5,6-tetrahydroxy[1,1-biphenyl]-4,4-dicarboxylate
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
(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
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
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
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
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
PI-103
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].
18-bromo-9E,15E,17E-octadecatrien-5,7-diynoic acid
4-AMINOPHENYL 2-ACETAMIDO-2-DEOXY-α-D-GALACTOPYRANOSIDE HYDROCHLORIDE
3,4,6-Tri-O-acetyl-b-D-mannopyranose1,2-(methylorthoacetate)
2-methoxy-6-[(4-methylphenyl)sulfonyloxymethyl]oxane-3,4,5-triol
Ethyl 2-[4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]-1,3 -thiazole-4-carboxylate
METHYL 4-(3-(4-(TRIFLUOROMETHYL)PHENYL)-1,2,4-OXADIAZOL-5-YL)BENZOATE
2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium,chloride
ETHYL 2-((2-AMINOETHOXY)METHYL)-4-(2-CHLOROPHENYL)-6-METHYLNICOTINATE
5-(4-chlorophenyl)-N-quinolin-6-ylfuran-2-carboxamide
2,5-BIS(METHOXYCARBONYL)-3,4-DIPHENYLCYCLOPENTADIENONE
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
(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
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D065093 - beta-Lactamase Inhibitors C2140 - Adjuvant > C183118 - Beta-lactamase Inhibitor D004791 - Enzyme Inhibitors
OC000459
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C177182 - Prostaglandin Receptor Antagonist
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
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
D064449 - Sequestering Agents > D002614 - Chelating Agents > D007502 - Iron Chelating Agents
4-hydroxy-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinoline-3-carboxamide
Equilin sulfate
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
18-Chloro-11,12,13,14-Tetrahydro-1h,10h-8,4-(Azeno)-9,15,1,3,6-Benzodioxatriazacycloheptadecin-2-One
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
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.
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
(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
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
(2-Methyl-3-imidazo[1,2-a]pyridinyl)-diphenyl-sulfanylidenephosphorane
N1-Protonated adenosine-5-monophosphate
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
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
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
2-[[(2,3-Dimethoxyphenyl)-oxomethyl]amino]-5-propan-2-yl-3-thiophenecarboxamide
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
N-cycloheptyl-2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetamide
2-[(5-Ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-1-phenylethanone
6-Propyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-[3-[(1,3-dioxo-5-isoindolyl)oxy]phenyl]-2-furancarboxamide
Acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester
2-[5-amino-1-(2-methoxyphenyl)-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one
3-[(4-methoxyphenyl)sulfonylamino]-N-(phenylmethyl)propanamide
1-Tert-butyl-5-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
1-Tert-butyl-5-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone
(3E)-N-(3,5-dichloroanilino)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-3-carboximidoyl cyanide
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
(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
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+)
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].
6-butanoyl-5-hydroxy-4-phenylfuro[2,3-h]chromen-2-one
(2r,3r)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7,8-dimethoxy-2,3-dihydro-1-benzopyran-4-one
[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-4-yl]acetic acid
(7e,13e,17e)-18-bromooctadeca-7,13,17-trien-5,15-diynoic acid
[(1r,3s,4as,10as)-9,10a-dihydroxy-5,10-dioxo-1-propyl-1h,3h,4h,4ah-naphtho[2,3-c]pyran-3-yl]acetic acid
(1s,2r,4s,5r,10s,12s,14r,15r,18r)-5-[(1r)-1-hydroxyethyl]-10,15-dimethyl-3,6,13,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹²,¹⁴.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
4-[(2s,3s,4r)-4-[(s)-(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl]benzene-1,2-diol
2-(2h-1,3-benzodioxol-5-yl)-8,8-dimethylpyrano[2,3-f]chromen-4-one
2-(6-acetyl-5-hydroxy-1-benzofuran-2-yl)-2,3-dihydroxypropyl 3-methylbut-2-enoate
(3s,4s,5s)-5,14-dihydroxy-4-methoxy-4,7,12,15-tetramethyl-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),7,11,13-tetraene-6,10-dione
(1s,6r,9r,17r)-5-hydroxy-12-(1-hydroxyethyl)-1,6-dimethyl-3,8,13-trioxapentacyclo[7.7.1.0²,⁴.0⁶,¹⁷.0¹¹,¹⁶]heptadeca-11,15-diene-7,14-dione
9-[(2s)-2-hydroxy-3-methoxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
2-(3-butoxy-3-oxopropyl)-4-hydroxy-5-oxo-3-phenylfuran-2-carboxylic acid
2,5,7-trihydroxy-3-[hydroxy(4-hydroxyphenyl)methyl]-6-methoxy-2,3-dihydro-1-benzopyran-4-one
(6bs,7r)-4,9-dihydroxy-7-methoxy-1h,2h,6bh,7h-benzo[j]fluoranthene-3,8-dione
(2r,3s)-3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(10r)-10-(dimethoxymethyl)-8-oxatricyclo[10.4.0.0²,⁷]hexadeca-1(16),2,4,6,12,14-hexaene-5,10,14,15-tetrol
(1s,5r,9r,13s,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
4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy}-3-methoxybenzaldehyde
(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-dihydropyran-2-one
3,5,7-trihydroxy-6,8-dimethyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-1-benzopyran-4-one
(2r)-2-hydroxy-4-{5'-methyl-[2,2'-bithiophen]-5-yl}but-3-yn-1-yl 3-methylbutanoate
4-{11-hydroxy-3-methyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),3,5,7,9,11-hexaene-10-carbonyl}-5-methylbenzene-1,3-diol
4-{4-[(3,4-dihydroxyphenyl)(hydroxy)methyl]-3-(hydroxymethyl)oxolan-2-yl}benzene-1,2-diol
(1r,5r,8s,11r)-5-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-11-hydroxy-3,9-dioxatricyclo[6.3.0.0¹,⁵]undecane-4,10-dione
[5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-en-1-yl)-1,4-dioxo-3h-naphthalen-2-yl]acetic acid
(2r,7s)-12-acetyl-11,13-dihydroxy-5,7-dimethoxy-2,10-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),4,9,11-tetraen-3-one
(2r,7s)-10-acetyl-11,13-dihydroxy-5,7-dimethoxy-2,12-dimethyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),4,9,11-tetraen-3-one
9-(2-hydroxy-3-methoxy-3-methylbutoxy)-4-methoxyfuro[3,2-g]chromen-7-one
butyl 7,8,9-trihydroxy-3,5-dioxo-1h,2h-cyclopenta[c]isochromene-1-carboxylate
5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah2a)
{"Ingredient_id": "HBIN011384","Ingredient_name": "5alpha,6beta,7beta,8alpha-tetrahydroxy-2-[2-(4'-methoxy-phenyl)ethyl]-5,6,7,8-tetrahydrochromone(ah2a)","Alias": "NA","Ingredient_formula": "C18H20O7","Ingredient_Smile": "COC1=CC=C(C=C1)CCC2=CC(=O)C3=C(O2)C(C(C(C3O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32039","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
