Exact Mass: 358.17801460000004
Exact Mass Matches: 358.17801460000004
Found 500 metabolites which its exact mass value is equals to given mass value 358.17801460000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Prednisone
Prednisone is only found in individuals that have used or taken this drug. It is a synthetic anti-inflammatory glucocorticoid derived from cortisone. It is biologically inert and converted to prednisolone in the liver. [PubChem]Prednisone is a glucocorticoid receptor agonist. It is first metabolized in the liver to its active form, prednisolone. Prednisolone crosses cell membranes and binds with high affinity to specific cytoplasmic receptors. The result includes inhibition of leukocyte infiltration at the site of inflammation, interference in the function of mediators of inflammatory response, suppression of humoral immune responses, and reduction in edema or scar tissue. The antiinflammatory actions of corticosteroids are thought to involve phospholipase A2 inhibitory proteins, lipocortins, which control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes. CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3926; ORIGINAL_PRECURSOR_SCAN_NO 3924 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8092 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3954; ORIGINAL_PRECURSOR_SCAN_NO 3949 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8001; ORIGINAL_PRECURSOR_SCAN_NO 7998 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3955; ORIGINAL_PRECURSOR_SCAN_NO 3954 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8041; ORIGINAL_PRECURSOR_SCAN_NO 8039 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3945; ORIGINAL_PRECURSOR_SCAN_NO 3943 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8089; ORIGINAL_PRECURSOR_SCAN_NO 8086 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8045; ORIGINAL_PRECURSOR_SCAN_NO 8040 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3963; ORIGINAL_PRECURSOR_SCAN_NO 3961 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8093; ORIGINAL_PRECURSOR_SCAN_NO 8091 CONFIDENCE standard compound; INTERNAL_ID 573; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3943; ORIGINAL_PRECURSOR_SCAN_NO 3941 A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 3243 CONFIDENCE standard compound; INTERNAL_ID 2196 CONFIDENCE standard compound; INTERNAL_ID 2401 D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Cilastatin
A renal dehydropeptidase-I and leukotriene D4 dipeptidase inhibitor. Since the antibiotic, imipenem, is hydrolyzed by dehydropeptidase-I, which resides in the brush border of the renal tubule, cilastatin is administered with imipenem to increase its effectiveness. The drug also inhibits the metabolism of leukotriene D4 to leukotriene E4. [PubChem] D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor CONFIDENCE standard compound; INTERNAL_ID 2129
Cannabidiolate
A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.
Fumiquinazoline F
C21H18N4O2 (358.14296879999995)
A fumiquinazoline that consists of pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione bearing a methyl substituent at position 1 and an indol-3-yl group at position 4. CONFIDENCE isolated standard
Malabaricone C
Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006). Malabaricone C a diarylnonanoid, shows strong scavenging activity. (PMID 16104820). Malabaricone C is an antimicrobial resorcinol found in nutmeg, the dried seed covers of Myristica fragrans and Myristica malabarica (rampatri). This Compound exhibits strong antifungal and antibacterial activity. (PMID 1955885, 10501006) Malabaricone C is a butanone. It has a role as a metabolite. Malabaricone C is a natural product found in Myristica cinnamomea, Myristicaceae, and other organisms with data available. A natural product found in Myristica cinnamomea. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1].
Sorgoleone 358
Sorgoleone 358 is found in cereals and cereal products. Sorgoleone 358 is a constituent of the etiolated seedlings of Sorghum bicolor (sorghum). Constituent of the etiolated seedlings of Sorghum bicolor (sorghum). Sorgoleone 358 is found in cereals and cereal products and sorghum.
Normammein
Normammein is found in fruits. Normammein is a constituent of Mammea americana (mamey) seeds
Monascoflavin
Monascoflavin is a fungal pigment from Monascus species which infests rice and other foodstuffs. Monascoflavin is a food colouran
Mammea B/AC
Mammea B/AC is found in fruits. Mammea B/AC is a constituent of Mammea americana (mamey) seeds Constituent of Mammea americana (mamey) seeds. Mammea B/AC is found in fruits.
6-Gingesulfonic acid
6-Gingesulfonic acid is found in ginger. 6-Gingesulfonic acid is isolated from the rhizome of Zingiber officinale (ginger). Isolated from the rhizome of Zingiber officinale (ginger). 6-Gingesulfonic acid is found in herbs and spices and ginger.
Piperoic acid
Piperoic acid is found in herbs and spices. Piperoic acid is a constituent of the leaves of Piper auritum (Veracruz pepper). Constituent of the leaves of Piper auritum (Veracruz pepper). Piperoic acid is found in herbs and spices.
11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide
11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide is found in beverages. 11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide is a constituent of Salvia columbariae (California chia)
Mammea B/BD
Mammea B/BD is found in fruits. Mammea B/BD is isolated from Mammea americana (mamey). Isolated from Mammea americana (mamey). Mammea B/BD is found in fruits.
3,3'-Di-tert-butyl-5,5'-dimethoxybiphenyl-2,2'-diol
2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid
9-Carboxy-thc
4,4'-Thiobis(6-tert-butyl-m-cresol)
7-[[(2R)-2-Amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid
Cannabidiolic acid
Canrenoic acid
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
Ferutinin
Ferutinin, a natural terpenoid compound, is an estrogen receptor ERα agonist and estrogen ERβ-receptor agonist/antagonist with IC50s of 33.1 nM and 180.5 nM, respectively. Ferutinin acts as an electrogenic Ca2+-ionophore that increases calcium permeability of lipid bilayer membranes, mitochondria. Ferutinin possesses estrogenic, antitumor, antibacterial and antiinflammatory activities[1][2].
Itopride
C20H26N2O4 (358.18924760000004)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Monascin
Rislenemdaz
C19H23FN4O2 (358.18049499999995)
Monascin
Monascin is an organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours. It has a role as an antineoplastic agent, a PPARgamma agonist, an antilipemic drug and a fungal metabolite. It is an organic heterotricyclic compound, a gamma-lactone, an alpha,beta-unsaturated ketone and a polyketide. Monascin is a natural product found in Monascus kaoliang, Monascus purpureus, and Monascus pilosus with data available. An organic heterotricyclic compound that is 3a,4,8,9a-tetrahydro-2H-furo[3,2-g][2]benzopyran-2,9(3H)-dione that is substituted at positions 3, 6, and 9a by hexanoyl, (1E)-prop-1-en-1-yl and methyl groups, respectively (the 3S,3aR,9aR diastereoisomer). One of the azaphilonoid pigments in extracts of Monascus pilosus-fermented rice (red-mould rice), it is a potent inhibitor of carcinogenesis measured against chemical- or UV-initiated, phorbol-promoted mouse skin tumours.
Myricanol
Myricanol is a member of the class of compounds known as meta,meta-bridged biphenyls. Meta,meta-bridged biphenyls are cyclic diarylheptanoids where the two aryl groups are linked to each other by an ether group conjugated to their 3-position. Myricanol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Myricanol can be found in anise, which makes myricanol a potential biomarker for the consumption of this food product. Myricanol is a natural product found in Myrica nagi, Morella rubra, and other organisms with data available.
[1aR-[1aalpha,4beta,4abeta,5beta(E),9aS*]]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-9-oxo-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 3-methyl-2-pentenoic acid
Cannabichromenic acid
A chromenol that is 2H-chromene substituted by methyl, 2-methylpent-2-en-5-yl, hydroxy, carboxy and pentyl groups at positions 2,2,5,6 and 7, respectively.
Itopride
C20H26N2O4 (358.18924760000004)
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Ferutinin
Ferutinin, a natural terpenoid compound, is an estrogen receptor ERα agonist and estrogen ERβ-receptor agonist/antagonist with IC50s of 33.1 nM and 180.5 nM, respectively. Ferutinin acts as an electrogenic Ca2+-ionophore that increases calcium permeability of lipid bilayer membranes, mitochondria. Ferutinin possesses estrogenic, antitumor, antibacterial and antiinflammatory activities[1][2].
Binospirone
C20H26N2O4 (358.18924760000004)
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
4-hydroxy-2,5,5,9-tetramethylcycloundeca-2,9-dienyl 4-hydroxybenzoate
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.449 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.453 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.451
Myrsinoic acid B
A member of the class of 1-benzofurans that is 2,3-dihydro-1-benzofuran substituted by a carboxy group at position 5, a 1,5-dimethyl-1-hydroxy-4-hexenyl group at position 2 and a prenyl group at position 7. Isolated from Myrsine seguinii, it exhibits anti-inflammatory activity.
4-hydroxy-3-[(2E,6E)-4-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
12-(??-Methyl butyryl)-14-acetyl-2E,8Z,10E-atractylentriol
5,7-dihydroxy-6-isobutanoyl-8-prenyl-4-propylcoumarin
methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate
rel-(7S,8S,1S,2S)-Delta8-3-hydroxy-2-methoxy-3,4-methylenedioxy-1,2,3,6-tetrahydro-7.O.2,8.1-neolignan
ent-8,9-seco-7alpha-acetoxykaura-8(14),16-dien-9,15-dione|ent-8,9-Seco-7??-acetoxykaura-8(14),16-dien-9,15-dione
1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl acetate
5-Methoxy-2-hydroxy-3-(1,2,4a-trimethyl-5-methylenedecalin-1-ylmethyl)-1,4-benzoquinone
9-(3,4-dihydro-7-hydroxy-2,5-dimethyl-2h-benzopyran-2-yl)-2,6-dimethyl-2,6-nonadienoic acid
12-oxoisospongia-13,15-dien-20-yl acetate|20-acetoxymarginatone
(2S,3R,4aS,5R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-4a-methyl-1,6-dimethylidenenaphthalen-2-yl acetate|inulifolinone H
1-(4-Hydroxyphenyl)-5-methoxy-7-(3-methoxy-4-hydroxyphenyl)-3-heptanone
7-(3,7-dimethyl-7-methoxyocta-2,5-dienyloxy)-8-methoxycoumarin|methylschinilenol
(3S,4aS,10aS)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-9-oxophenanthren-3-yl acetate|2alpha-acetoxysugiol
(7S,8S,8S)-7-Hydroxy-3,4-dimethoxy-3,4-methylenedioxy-7.1-seco-6.7,8.8-neolignan|4-(3,4-Dimethyoxyphenyl)-4-(3,4-methylenedioxyphenyl)-2,3-dimethyl-1-butanol
(8R,3S)-Delta8-4-hydroxy-3,34-trimethoxy-3,6-dihydro-6-oxo-8,3-neolignan|Lancifolin A
2-(4-Methoxy-3-methyl-6-isopropylphenoxy)-4-methoxy-3-methyl-6-isopropylphenol
1-[7,8-dihydro-7-hydroxy-7-methyl-8-oxo-3-(1E)-1-propenyl-6H-2-benzopyran]undecan-2-one|rubropunctin
12-acetylroyleanone|12-O-Acetoxy-royleanon|7-acetyl-royleanone|Royleanone Acetat
3-acetoxyhelioscopinolide B|3beta-Acetoxy-Helioscopinolide B
3-(5-acetoxyprenyl)-5-prenyl-7Z-p-coumaric acid|3-<5-acetoxyprenyl>-5-prenyl-7Z-p-coumaric acid
(-)-(1betaH,7E)-6-beta-acetoxyverticilla-4(18),7,11-triene-10,12-gamma-lactone|(5R,10S,11E,13aR)-2,4,5,6,7,8,9,10,13,13a-decahydro-4,4,12-trimethyl-8-methylidene-2-oxo-3,5-ethanocyclododeca[b]furan-10-yl acetate|cespihypotin Y
(+)-hyatellaquinone|3-[[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]methyl]-2-hydroxy-5-methoxy-2,5-cyclohexadiene-1,4-dione|3-{[(1R,4aR,5R,8aR)-decahydro-5,5,8a-trimethyl-2-methylenenaphthalen-1-yl]methyl}-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione|hyatellaquinone
caesalpinilinn|methyl (4S,4aS,6aS,7R,10bR,12aR,12bS)-2,3,4,4a,5,6,6a,7,10b,12b-decahydro-4,7-dimethyl-12-oxo-1H-phenanthro[5,4a-bc:6,7-b]difuran-4-carboxylate
19-acetoxy-15,16-epoxy-8(17),13(16),14-ent-labdatrien-20-al
(2R,3S,4aS,8R,8aS)-8-[2-(furan-3-yl)-2-oxoethyl]decahydro-3-hydroxy-8a-methyl-4,7-dimethylidenenaphthalen-2-yl acetate|inulifolinone G
(4E,6E,12E)-1-acetoxy-3-isovaleryloxytetradeca-4,6,12-trien-8,10-diyn-14-ol
5-Hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl acetate
6,8-dimethoxy-7-(3,7-dimethylocta-2,6-dienyloxy)coumarin|7-geranyloxy-6,8-dimethoxycoumarin|altissimacoumarin D
1-(2,4-dihydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-3-heptanone
(7S,8R)-7-hydroxy-3,4,3?-trimethoxy-Delta1,3,5,1?,3?,5?,8?-8.O.4?-neolignan
2-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,11beta,16beta,17beta-tetraol
4-[(3S)-3-hydroxybutyl]-2-methoxyphenyl-beta-D-glucopyranoside|bumaldoside C
3,4-Dimethoxy-9-hydroxy-3,4-methylenedioxy-8,8-neolignan
8-O-methylsenecioylaustricin|rel-(3aR,4S,9bR)-2,3,3a,4,5,7,9a,9b-octahydro-3,6,9-trimethyl-2,7-dioxoazuleno[4,5-b]furan-4-yl (2E)-3-methylpent-2-enoate
11-methoxy-12,14-dihydroxy-13-(2-hydroxypropyl)-3,5,8,11,13-abietapentaen-7-one
(-)-(7R,8R,8R)-4,4-dihydroxy-3,3,5-trimethoxy-2,7-cyclolignane
rel-(7S,8R)-Delta7-3,4,5-trimethoxy-7-hydroxy-8.O.3-neolignan
ericanone|rel-(3R,7R)-1,9-bis(p-hydroxyphenyl)-3,7-dihydroxynonan-5-one
(3S,6R)-2-ethyl-3a,4,8,8a-tetrahydro-6,9-dihydroxy-1-methoxy-3H,6H-spiro[indole-3,7-[3,6]methanooxepino[4,3-b]pyrrol]-2(1H)-one|11,14-dihydroxygelsenicine
1-O-beta-glucopyranosyl-1,4-dihydroxy-2-(3-hydroxy-3-methylbutyl)benzene
S-Farnesylthiosalicylic acid;Farnesyl Thiosalicylic Acid;FTS
yohimbinic acid
C20H26N2O4 (358.18924760000004)
Yohimbic acid hydrate is an amphoteric demethylated derivative of Yohimbine (HY-12715). Yohimbic acid hydrate exhibits vasodilatory action. Yohimbic acid hydrate also can be used for the research of osteoarthritis (OA)[1][2][3].
Cilastatin
The thioether resulting from the formal oxidative coupling of the thiol group of L-cysteine with the 7-position of (2Z)-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin is therefore administered (as the sodium salt) with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to inactive and potentially nephrotoxic products. Cilastatin also acts as a leukotriene D4 dipeptidase inhibitor, preventing the metabolism of leukotriene D4 to leukotriene E4. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor CONFIDENCE standard compound; INTERNAL_ID 2129 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2555 EAWAG_UCHEM_ID 2555; CONFIDENCE standard compound
Prednisone
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2196 CONFIDENCE standard compound; INTERNAL_ID 8744
[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate
C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol
C21H26O5_4-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol
[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate
15,16-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,17-triol
bisphenol a (2 3-dihydroxypropyl) glycid
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5812
[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate_major
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Val Ser Pro Gly
Salirasib
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1902 - Ras Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Salirasib is a Ras inhibitor that inhibits specifically both oncogenically activated Ras and growth factor receptor-mediated Ras activation, resulting in the inhibition of Ras-dependent tumor growth.
Malabaricone C
Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1]. Malabaricone C is a natural sphingomyelin synthase (SMS) inhibitor with IC50s of 3 and 1.5 μM for SMS 1 and 2, respectively[1].
Mammea B/BD
15,16-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol
Dracocephalumoid C
[5-(Cyclohexylamino)-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-1H-in dol-2-yl]boronic acid
4-(BENZYL(2-(4-NITROPHENOXY)ETHYL)AMINO)BUTANOIC ACID
TERT-BUTYL 5-METHYL-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
1-N-CBZ-1,2-DIHYDRO-1H-SPIRO[INDOLE-3,4-PIPERIDINE] HYDROCHLORIDE
A-674563
A-674563 is an orally active and selective Akt1 inhibitor with a Ki of 11 nM.
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,prop-2-enoic acid
4-(trans-4-Propylcyclohexyl)-2,3-difluoro-4-ethoxy-1,1-biphenyl
C23H28F2O (358.21081019999997)
2,2-diphenyl-4-piperidin-1-ylbutanamide,hydrochloride
C21H27ClN2O (358.18118020000003)
DI-TERT-BUTYL(2,6-DIMETHOXY-[1,1-BIPHENYL]-2-YL)PHOSPHINE
(2R,3S,4R,5R)-2-(Aminomethyl)-5-(6-(benzylamino)-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diol
C17H22N6O3 (358.17533019999996)
N-[(2-Cyano[1,1-biphenyl]-4-yl)methyl]-L-valine methyl ester hydrochloride
[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-(piperidin-1-ylmethyl)indol-2-yl]boronic acid
tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate
2-Methyl-2-propanyl 2-benzyl-1,3-dioxo-2,8-diazaspiro[4.5]decane- 8-carboxylate
C20H26N2O4 (358.18924760000004)
ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate
tert-Butyl 4-(2-formyl-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate
5-benzoyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide
9β,11β-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione
1-N-BOC-3-METHYLINDAZOLE-5-BORONIC ACID PINACOL ESTER
1-BOC-2-[(2-TRIFLUOROMETHYL-PHENYLAMINO)-METHYL]-PIPERIDINE
C18H25F3N2O2 (358.18680259999996)
1-BOC-2-[(3-TRIFLUOROMETHYL-PHENYLAMINO)-METHYL]-PIPERIDINE
C18H25F3N2O2 (358.18680259999996)
1-BOC-2-[(4-TRIFLUOROMETHYL-PHENYLAMINO)-METHYL]-PIPERIDINE
C18H25F3N2O2 (358.18680259999996)
N-{3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanamide hydrochloride (1:1)
MK-0657
C19H23FN4O2 (358.18049499999995)
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent Rislenemdaz (CERC-301) is an orally bioavailable and selective N-methyl-D-aspartate (NMDA) receptor subunit 2B (GluN2B) antagonist with Ki and IC 50 of 8.1 nM and 3.6 nM, respectively.
B-[3,5-Difluoro-4-(trans-4-propylcyclohexyl)[1,1-biphenyl]-4-yl]boronic acid
C21H25BF2O2 (358.19155639999997)
Pyrrolo[3,2,1-jk][1,4]benzodiazepine-7(1H)-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-Alpha-oxo-, methyl ester
7,8,9,10,18,19,20,21-Octahydro-6H,17H-dibenzo[b,k][1,4,10,13,7,16]tetraoxadiazacyclooctadecine
C20H26N2O4 (358.18924760000004)
1,9-Diazaspiro[5.5]undecane, 1-(phenylmethyl)-, 2,2,2-trifluoroacetate (1:1)
C18H25F3N2O2 (358.18680259999996)
tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate
TERT-BUTYL (4-FORMYL-5-((4-METHOXYBENZYL)OXY)PYRIDIN-3-YL)CARBAMATE
Cimetropium
C21H28NO4+ (358.20182280000006)
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid
16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol
N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
N-[2-[2-[2-[[oxo(3-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]-3-pyridinecarboxamide
N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
C20H18N6O (358.15420179999995)
5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
5-[(3r)-3-(5-Methoxybiphenyl-3-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
[2-hydroxy-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-biphenyl-3-ylmethyl]-urea
C21H18N4O2 (358.14296879999995)
N2-[(Benzyloxy)carbonyl]-N1-[(3S)-1-cyanopyrrolidin-3-YL]-L-leucinamide
15,16-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol
2-(3-Methoxy-4-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran
(1S,5S,6R,7R,8R)-7-(3,4-dimethoxyphenyl)-8-hydroxy-5-methoxy-6-methyl-3-(prop-2-en-1-yl)bicyclo[3.2.1]oct-3-en-2-one
3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrouro[3,2-g]isochromene-2,9-dione
(+)-(3R)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
A diarylheptanoid that is heptane substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(-)-(3S)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane
A diarylheptanoid that is heptane substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
Futokadsurin A
A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4 (relatively trans configuration), a 3,4-dimethoxyphenyl moiety at position 5 (relatively trans to the methyl group at position 4) and a 4-hydroxy-3-methoxyphenyl group at position 2 (relatively cis to the methyl group at position 3). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO).
(-)-(7R,8R,8R)-4,4-dihydroxy-3,3,5-trimethoxy-2,7-cyclolignan
A natural product found in Machilus robusta.
rel-(+)-(7S,8S,8S)-4,4-dihydroxy-3,5,5-trimethoxy-2,7-cyclolignan
A lignan that is 1,2,3,4-tetrahydronaphthalene substituted by methyl groups at positions 6 and 7, a hydroxy group at position 2, a methoxy group at position 3 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 8. It has been isolated from the bark of Machilus robusta.
3-[3-[2-(2-Carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
C21H18N4O2 (358.14296879999995)
N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazoline-4,6-diamine
Ala-Thr-Ala-Pro
A tetrapeptide composed of L-alanine, L-threonine, L-alanine, and L-proline joined in sequence by peptide linkages.
(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)ammonium hydrogen maleate
4-[(4-Ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
1-[5-(2-Furanylmethylamino)-3-phenyl-1,2,4-triazol-1-yl]-2-phenylethanone
C21H18N4O2 (358.14296879999995)
1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea
C19H26N4OS (358.18272260000003)
3,5-dimethyl-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide
N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide
3-[2-(4-fluorophenyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
4-[[4-(2-Methoxyanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]-1-butanol
(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
C21H28NO4+ (358.20182280000006)
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(4-oxanylmethyl)-3-isoxazolecarboxamide
C20H26N2O4 (358.18924760000004)
Trichosetin(1-)
C21H28NO4- (358.20182280000006)
An organic anion resulting from the deprotonation of the enol moiety of trichosetin.
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)-1-piperidinecarboxamide
(5S)-3-[(2E,6R,8E,10E,12E)-2,6-dimethyltetradeca-2,8,10,12-tetraenoyl]-5-(hydroxymethyl)pyrrolidine-2,4-dione
C21H28NO4- (358.20182280000006)
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-4-[(E)-2-phenylethenyl]pyridinium
[4-[1-(1-Cyclopentyl-5-tetrazolyl)propyl]-1-piperazinyl]-(2-furanyl)methanone
3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide
(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptane
C24H23FN2 (358.18451699999997)
N-[[(2R,3S,4R)-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
(1S,5R)-3-(1-methylimidazol-4-yl)sulfonyl-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
N-[[(2S,3R,4S)-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
N-[[(2S,3S,4S)-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
(1S,5R)-6-[(4-fluorophenyl)methyl]-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane
C24H23FN2 (358.18451699999997)
19-hydroxy-2,3-dinor-6-oxoprostaglandin F1alpha
A prostanoid that is 2,3-dinor-6-oxo-prostaglandin F1alpha in which a hydrogen at position 19 is replaced by a hydroxy group.
N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-(4-propan-2-yloxyphenyl)propanamide
4-(4-Acetamidophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
1-[(Z)-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]-3-(4-propan-2-ylphenyl)thiourea
(1S,10S,11S,15S,2R,14R)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracycl o[8.7.0.0<2,7>.0<11,15>]heptadeca-3,6-diene-5,17-dione
2,3-Dihydroxypropyl (2-hydroxy-3-octoxypropyl) hydrogen phosphate
3-Phenyl-2-(trimethylsilyl)oxybenzoic acidtrimethylsilyl ester
(1S,2S,6R,7R)-6-ethyl-1,6-dimethoxyspiro[10-oxa-5-azatricyclo[5.3.1.04,8]undecane-2,3-indole]-2-one
C20H26N2O4 (358.18924760000004)
(R)-laudanosine(1+)
C21H28NO4 (358.20182280000006)
An organic cation that is the conjugate acid of (R)-laudanosine, obtained by protonation of the tertiary amino group; major species at pH 7.3.
kadsurenin C
A neolignan with formula C21H26O5, originally isolated from Piper kadsura.
Delta(6)-prednisolone
A glucocorticoid that is prednisolone in which a double bond is introduced at position 6. It is a metabolite of prednisolone found in human urine.
FTIDC
C18H23FN6O (358.19172799999996)
FTIDC is an orally active, noncompetitive, selective allosteric metabotropic glutamate receptor (mGluR) 1 antagonist with an IC50 of 5.8 nM for human mGluR1a. FTIDC has no species differences in its antagonistic activity on recombinant human, mouse, and rat mGluR1[1].