Exact Mass: 358.1659

Exact Mass Matches: 358.1659

Found 500 metabolites which its exact mass value is equals to given mass value 358.1659, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Prednisone

(1S,2R,10S,11S,14R,15S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-diene-5,17-dione

C21H26O5 (358.178)

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

(Z)-7-((R)-2-Amino-2-carboxy-ethylsulphanyl)-2-[((S)-2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid

C16H26N2O5S (358.1562)

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

Dihydrokadsurenone

9,10-Dihydrokadsurenone

C21H26O5 (358.178)

Malabaricone C

1-(2,6-Bis(oxidanyl)phenyl)-9-(3,4-bis(oxidanyl)phenyl)nonan-1-one

C21H26O5 (358.178)

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].

Normammein

5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one, 9ci

C21H26O5 (358.178)

Normammein is found in fruits. Normammein is a constituent of Mammea americana (mamey) seeds

Monascoflavin

3-hexanoyl-9a-methyl-6-[(1Z)-prop-1-en-1-yl]-2H,3H,3aH,4H,8H,9H,9aH-furo[3,2-g]isochromene-2,9-dione

C21H26O5 (358.178)

Monascoflavin is a fungal pigment from Monascus species which infests rice and other foodstuffs. Monascoflavin is a food colouran

Mammea B/AC

5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one, 9ci

C21H26O5 (358.178)

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.

Mammea B/BD

5,7-Dihydroxy-7-(3-methyl-2-butenyl)-8-(2-methyl-2-oxopropyl)-3-propyl-2H-1-benzopyran-2-one

C21H26O5 (358.178)

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.

7-[[(2R)-2-Amino-2-carboxyethyl]thio]-2-[[[(1S)-2,2-dimethylcyclopropyl]-oxomethyl]amino]-2-heptenoic acid

C16H26N2O5S (358.1562)

Monascin

3-hexanoyl-9a-methyl-6-(prop-1-en-1-yl)-2H,3H,3aH,4H,8H,9H,9aH-furo[3,2-g]isochromene-2,9-dione

C21H26O5 (358.178)

Rislenemdaz

(4-Methylphenyl)methyl 3-fluoro-4-{[(pyrimidin-2-yl)amino]methyl}piperidine-1-carboxylic acid

C19H23FN4O2 (358.1805)

Xemilofiban

3-[(4-Carbamimidoylphenyl)carbamoyl]-N-(5-ethoxy-5-oxopent-1-yn-3-yl)propanimidate

C18H22N4O4 (358.1641)

Monascin

2H-FURO(3,2-G)(2)BENZOPYRAN-2,9(3H)-DIONE, 3A,4,8,9A-TETRAHYDRO-9A-METHYL-3-(1-OXOHEXYL)-6-(1E)-1-PROPEN-1-YL-, (3S,3AR,9AR)-

C21H26O5 (358.178)

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.

Terresterone B

2beta,3alpha-Dihydroxypregna-4,7,16-trien-12,20-dione

C21H26O5 (358.178)

SCHEMBL13506024

C21H26O5 (358.178)

Myricanol

NCGC00380288-01_C21H26O5_Tricyclo[12.3.1.1~2,6~]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,15-triol, 16,17-dimethoxy-

C21H26O5 (358.178)

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

C21H26O5 (358.178)

Antibiotic DT 136B

C21H26O5 (358.178)

14,15-Dihydroxygelsenicine

C19H22N2O5 (358.1529)

Virolin

Machilin D 4-methyl ether

C21H26O5 (358.178)

Loliolide beta-D-glucopyranoside

C17H26O8 (358.1628)

Perforaquassin A

C21H26O5 (358.178)

Grevilloside B

C17H26O8 (358.1628)

Phanginin J

C21H26O5 (358.178)

Aurantiomide B

C18H22N4O4 (358.1641)

beta-Hydroxythiofentanyl

C20H26N2O2S (358.1715)

MCULE-7390149621

C21H26O5 (358.178)

Quinolin-8-yl 1-pentyl-1H-indole-3-carboxylate

C23H22N2O2 (358.1681)

ZINC585662387

C23H22N2O2 (358.1681)

SCHEMBL16352042

C21H26O5 (358.178)

Bisphenol A (2,3-dihydroxypropyl) glycidyl ether

C21H26O5 (358.178)

C21H26O5

C21H26O5 (358.178)

12-(??-Methyl butyryl)-14-acetyl-2E,8Z,10E-atractylentriol

C21H26O5 (358.178)

5,7-dihydroxy-6-isobutanoyl-8-prenyl-4-propylcoumarin

C21H26O5 (358.178)

methyl 15,16-epoxy-3,13(16),14-ent-clerodatrien-18,19-olide-17-carboxylate

C21H26O5 (358.178)

rel-(7S,8S,1S,2S)-Delta8-3-hydroxy-2-methoxy-3,4-methylenedioxy-1,2,3,6-tetrahydro-7.O.2,8.1-neolignan

C21H26O5 (358.178)

SCHEMBL3732526

C21H26O5 (358.178)

CHEMBL253432

C21H26O5 (358.178)

1-(3,4-Dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-yl acetate

C21H26O5 (358.178)

morinol E|morinol F

C21H26O5 (358.178)

cyrtophyllone A

C21H26O5 (358.178)

(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

C21H26O5 (358.178)

1-(4-Hydroxyphenyl)-5-methoxy-7-(3-methoxy-4-hydroxyphenyl)-3-heptanone

C21H26O5 (358.178)

Kadsurenin I

C21H26O5 (358.178)

carinatol

C21H26O5 (358.178)

(E)-form-Avicennic acid|trans-avicennic acid

C21H26O5 (358.178)

7-(3,7-dimethyl-7-methoxyocta-2,5-dienyloxy)-8-methoxycoumarin|methylschinilenol

C21H26O5 (358.178)

(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

C21H26O5 (358.178)

(8R,3S)-Delta8-4-hydroxy-3,34-trimethoxy-3,6-dihydro-6-oxo-8,3-neolignan|Lancifolin A

C21H26O5 (358.178)

methyl dodonate C

C21H26O5 (358.178)

15,16-dehydrocoleon U 12-methyl ether

C21H26O5 (358.178)

Shikonofuran C

C21H26O5 (358.178)

3-(5-acetoxyprenyl)-5-prenyl-7Z-p-coumaric acid|3-<5-acetoxyprenyl>-5-prenyl-7Z-p-coumaric acid

C21H26O5 (358.178)

Decarboxynorstenosporic acid

C21H26O5 (358.178)

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

C21H26O5 (358.178)

(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

C21H26O5 (358.178)

(4E,6E,12E)-1-acetoxy-3-isovaleryloxytetradeca-4,6,12-trien-8,10-diyn-14-ol

C21H26O5 (358.178)

swartziarboreol A

C21H26O5 (358.178)

Shikonofuran B

C21H26O5 (358.178)

D-arabino-Hexos-2-ulose, bis(phenylhydrazone)

C18H22N4O4 (358.1641)

1,7-bis(4-hydroxy-3-methoxyphenyl)heptan-3-one

C21H26O5 (358.178)

arthrinin D

C21H26O5 (358.178)

5-Hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-yl acetate

C21H26O5 (358.178)

R-(-)-heteroscyphide

C21H26O5 (358.178)

6,8-dimethoxy-7-(3,7-dimethylocta-2,6-dienyloxy)coumarin|7-geranyloxy-6,8-dimethoxycoumarin|altissimacoumarin D

C21H26O5 (358.178)

1-(2,4-dihydroxy-3-methoxyphenyl)-7-(4-methoxyphenyl)-3-heptanone

C21H26O5 (358.178)

(7S,8R)-7-hydroxy-3,4,3?-trimethoxy-Delta1,3,5,1?,3?,5?,8?-8.O.4?-neolignan

C21H26O5 (358.178)

9beta-angeloxyfuranoeremophilan-14,6alpha-olide

C21H26O5 (358.178)

helinudichromene quinone

C21H26O5 (358.178)

Decarboxynorimbricaric acid

C21H26O5 (358.178)

2-Methoxy-19-nor-17alpha-pregna-1,3,5(10)trien-20-yn-3,11beta,16beta,17beta-tetraol

C21H26O5 (358.178)

Cajucarin A

C21H26O5 (358.178)

Decarboxy-2-O-methyldivaricatic acid

C21H26O5 (358.178)

4-[(3S)-3-hydroxybutyl]-2-methoxyphenyl-beta-D-glucopyranoside|bumaldoside C

C17H26O8 (358.1628)

methyl 12,20-dioxo-lambertianate

C21H26O5 (358.178)

3,4-Dimethoxy-9-hydroxy-3,4-methylenedioxy-8,8-neolignan

C21H26O5 (358.178)

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

C21H26O5 (358.178)

11-methoxy-12,14-dihydroxy-13-(2-hydroxypropyl)-3,5,8,11,13-abietapentaen-7-one

C21H26O5 (358.178)

porosin

C21H26O5 (358.178)

GA20 ethyl ester

C21H26O5 (358.178)

galdosol 5-methyl ether

C21H26O5 (358.178)

ACMC-20dgj5

C21H26O5 (358.178)

(-)-(7R,8R,8R)-4,4-dihydroxy-3,3,5-trimethoxy-2,7-cyclolignane

C21H26O5 (358.178)

CHEMBL517176

C21H26O5 (358.178)

rel-(7S,8R)-Delta7-3,4,5-trimethoxy-7-hydroxy-8.O.3-neolignan

C21H26O5 (358.178)

ericanone|rel-(3R,7R)-1,9-bis(p-hydroxyphenyl)-3,7-dihydroxynonan-5-one

C21H26O5 (358.178)

C18H22N4O4

C18H22N4O4 (358.1641)

morinol C|morinol D

C21H26O5 (358.178)

(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

C19H22N2O5 (358.1529)

1-O-beta-glucopyranosyl-1,4-dihydroxy-2-(3-hydroxy-3-methylbutyl)benzene

C17H26O8 (358.1628)

Pro Asp Gln

C14H22N4O7 (358.1488)

Pro Asn Glu

C14H22N4O7 (358.1488)

Gly Pro Trp

C18H22N4O4 (358.1641)

Gln Pro Asp

C14H22N4O7 (358.1488)

Pro Lys Asp

C15H26N4O6 (358.1852)

Asn Pro Glu

C14H22N4O7 (358.1488)

Pro Gln Asp

C14H22N4O7 (358.1488)

aspartylprolyllysine

C15H26N4O6 (358.1852)

Asp Pro Gln

C14H22N4O7 (358.1488)

Lys Pro Asp

C15H26N4O6 (358.1852)

Trp Pro Gly

C18H22N4O4 (358.1641)

Pro Glu Asn

C14H22N4O7 (358.1488)

prolylaspartyllysine

C15H26N4O6 (358.1852)

Cilastatin

7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-{[(1S)-2,2-dimethylcyclopropyl]formamido}hept-2-enoic acid

C16H26N2O5S (358.1562)

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

C21H26O5 (358.178)

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

MLS001304073-01!Prednisone53-03-2

C21H26O5 (358.178)

MLS001066406-01!Prednisone

C21H26O5 (358.178)

MLS002638114-01!53-03-2

C21H26O5 (358.178)

[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate

NCGC00384669-01![7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate

C21H26O5 (358.178)

C21H26O5_15,16-Dimethoxytricyclo[12.3.1.1~2,6~]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol

NCGC00347538-02_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 (358.178)

C21H26O5_4-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol

NCGC00386034-01_C21H26O5_4-[5-(3,4-Dimethoxyphenyl)-3,4-dimethyltetrahydro-2-furanyl]-2-methoxyphenol

C21H26O5 (358.178)

[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate

C21H26O5 (358.178)

15,16-dimethoxytricyclo[12.3.1.1²,⁶]nonadeca-1(18),2,4,6(19),14,16-hexaene-3,9,17-triol

C21H26O5 (358.178)

bisphenol a (2 3-dihydroxypropyl) glycid

3-(4-(1-(4-(2,3-Epoxypropoxy)phenyl)-1-methylethyl)phenoxy)propane-1,2-diol

C21H26O5 (358.178)

CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 5812

[7-(3,4-dihydroxyphenyl)-1-(4-hydroxyphenyl)heptan-3-yl] acetate_major

C21H26O5 (358.178)

Ala Ala Pro Thr

(2S,3R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]propanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanoic acid

C15H26N4O6 (358.1852)

Ala Ala Thr Pro

(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-hydroxybutanoyl]pyrrolidine-2-carboxylic acid

C15H26N4O6 (358.1852)

Ala Asp Gly Pro

(2S)-1-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]acetyl}pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Ala Asp Pro Gly

(3S)-3-[(2S)-2-aminopropanamido]-4-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid

C14H22N4O7 (358.1488)

Ala Gly Asp Pro

(2S)-1-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Ala Gly Pro Asp

(2S)-2-{[(2S)-1-{2-[(2S)-2-aminopropanamido]acetyl}pyrrolidin-2-yl]formamido}butanedioic acid

C14H22N4O7 (358.1488)

Ala Pro Ala Thr

(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-hydroxybutanoic acid

C15H26N4O6 (358.1852)

Ala Pro Asp Gly

(3S)-3-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-[(carboxymethyl)carbamoyl]propanoic acid

C14H22N4O7 (358.1488)

Ala Pro Gly Asp

(2S)-2-(2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}acetamido)butanedioic acid

C14H22N4O7 (358.1488)

Ala Pro Thr Ala

(2S)-2-[(2S,3R)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxybutanamido]propanoic acid

C15H26N4O6 (358.1852)

Ala Thr Ala Pro

(2S)-1-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]propanoyl]pyrrolidine-2-carboxylic acid

C15H26N4O6 (358.1852)

Ala Thr Pro Ala

(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}propanoic acid

C15H26N4O6 (358.1852)

Asp Ala Gly Pro

(2S)-1-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]acetyl}pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Asp Ala Pro Gly

(3S)-3-amino-3-{[(2S)-1-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}propanoic acid

C14H22N4O7 (358.1488)

Asp Gly Ala Pro

(2S)-1-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}propanoyl]pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Asp Gly Pro Ala

(3S)-3-amino-3-({2-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)propanoic acid

C14H22N4O7 (358.1488)

Asp Pro Ala Gly

(3S)-3-amino-4-[(2S)-2-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C14H22N4O7 (358.1488)

Asp Pro Gly Ala

(3S)-3-amino-4-[(2S)-2-[({[(1S)-1-carboxyethyl]carbamoyl}methyl)carbamoyl]pyrrolidin-1-yl]-4-oxobutanoic acid

C14H22N4O7 (358.1488)

Glu Gly Gly Pro

(2S)-1-(2-{2-[(2S)-2-amino-4-carboxybutanamido]acetamido}acetyl)pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Glu Gly Pro Gly

(4S)-4-amino-4-({2-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl}carbamoyl)butanoic acid

C14H22N4O7 (358.1488)

Glu Pro Gly Gly

(4S)-4-amino-5-[(2S)-2-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)pyrrolidin-1-yl]-5-oxopentanoic acid

C14H22N4O7 (358.1488)

Gly Ala Asp Pro

(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Gly Ala Pro Asp

(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)propanoyl]pyrrolidin-2-yl]formamido}butanedioic acid

C14H22N4O7 (358.1488)

Gly Asp Ala Pro

(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]propanoyl]pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Gly Asp Pro Ala

(3S)-3-(2-aminoacetamido)-4-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-4-oxobutanoic acid

C14H22N4O7 (358.1488)

Gly Glu Gly Pro

(2S)-1-{2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]acetyl}pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Gly Glu Pro Gly

(4S)-4-(2-aminoacetamido)-5-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

C14H22N4O7 (358.1488)

Gly Gly Glu Pro

(2S)-1-[(2S)-2-[2-(2-aminoacetamido)acetamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

C14H22N4O7 (358.1488)

Gly Gly Pro Glu

(2S)-2-{[(2S)-1-[2-(2-aminoacetamido)acetyl]pyrrolidin-2-yl]formamido}pentanedioic acid

C14H22N4O7 (358.1488)

Gly Pro Ala Asp

(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}propanamido]butanedioic acid

C14H22N4O7 (358.1488)

Gly Pro Asp Ala

(3S)-3-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-{[(1S)-1-carboxyethyl]carbamoyl}propanoic acid

C14H22N4O7 (358.1488)

Gly Pro Glu Gly

(4S)-4-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-4-[(carboxymethyl)carbamoyl]butanoic acid

C14H22N4O7 (358.1488)

Gly Pro Gly Glu

(2S)-2-(2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}acetamido)pentanedioic acid

C14H22N4O7 (358.1488)

Gly Pro Ser Val

(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-methylbutanoic acid

C15H26N4O6 (358.1852)

Gly Pro Val Ser

(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-3-methylbutanamido]-3-hydroxypropanoic acid

C15H26N4O6 (358.1852)

Gly Ser Pro Val

(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-methylbutanoic acid

C15H26N4O6 (358.1852)

Gly Ser Val Pro

(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid

C15H26N4O6 (358.1852)

Gly Val Pro Ser

(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-3-methylbutanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid

C15H26N4O6 (358.1852)

Gly Val Ser Pro

(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid

C15H26N4O6 (358.1852)

Gln Asp Pro

C14H22N4O7 (358.1488)

Pro Gly Trp

C18H22N4O4 (358.1641)

Trp Gly Pro

C18H22N4O4 (358.1641)

Asp Lys Pro

C15H26N4O6 (358.1852)

Lys Asp Pro

C15H26N4O6 (358.1852)

Gly Trp Pro

C18H22N4O4 (358.1641)

Asn Glu Pro

C14H22N4O7 (358.1488)

Pro Asp Lys

C15H26N4O6 (358.1852)

Asp Pro Lys

C15H26N4O6 (358.1852)

Glu Pro Asn

C14H22N4O7 (358.1488)

Asp Gln Pro

C14H22N4O7 (358.1488)

Pro Ala Ala Thr

(2S,3R)-3-hydroxy-2-[(2S)-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]butanoic acid

C15H26N4O6 (358.1852)

Pro Ala Asp Gly

(3S)-3-[(carboxymethyl)carbamoyl]-3-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanoic acid

C14H22N4O7 (358.1488)

Pro Ala Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]acetamido}butanedioic acid

C14H22N4O7 (358.1488)

Pro Asp Ala Gly

(3S)-3-{[(1S)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C14H22N4O7 (358.1488)

Pro Asp Gly Ala

(3S)-3-[({[(1S)-1-carboxyethyl]carbamoyl}methyl)carbamoyl]-3-[(2S)-pyrrolidin-2-ylformamido]propanoic acid

C14H22N4O7 (358.1488)

Pro Glu Gly Gly

(4S)-4-({[(carboxymethyl)carbamoyl]methyl}carbamoyl)-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid

C14H22N4O7 (358.1488)

Pro Gly Ala Asp

(2S)-2-[(2S)-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanamido]butanedioic acid

C14H22N4O7 (358.1488)

Pro Gly Asp Ala

(3S)-3-{[(1S)-1-carboxyethyl]carbamoyl}-3-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}propanoic acid

C14H22N4O7 (358.1488)

Pro Gly Glu Gly

(4S)-4-[(carboxymethyl)carbamoyl]-4-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}butanoic acid

C14H22N4O7 (358.1488)

Pro Gly Gly Glu

(2S)-2-(2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}acetamido)pentanedioic acid

C14H22N4O7 (358.1488)

Glu Asn Pro

C14H22N4O7 (358.1488)

Pro Trp Gly

C18H22N4O4 (358.1641)

CAY10470

N4-[2-(4-phenoxyphenyl)ethyl]-4,6-quinazolinediamine

C22H22N4O (358.1794)

Malabaricone C

1-Nonanone, 1-(2,6-dihydroxyphenyl)-9-(3,4-dihydroxyphenyl)-

C21H26O5 (358.178)

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].

Normammein

5,7-Dihydroxy-6-(3-methyl-2-butenyl)-8-(1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one, 9ci

C21H26O5 (358.178)

Mammea B/BD

5,7-Dihydroxy-7-(3-methyl-2-butenyl)-8-(2-methyl-2-oxopropyl)-3-propyl-2H-1-benzopyran-2-one

C21H26O5 (358.178)

Mammea B/AC

5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(1-oxobutyl)-4-propyl-2H-1-benzopyran-2-one, 9ci

C21H26O5 (358.178)

15,16-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(18),2(19),3,5,14,16-hexaene-3,9,17-triol

C21H26O5 (358.178)

FA 21:8;O3

methyl 2-((1R,2R)-2-((E)-5-phenylacetoxypent-2-en-1-yl)-3-oxocyclopentyl) acetate

C21H26O5 (358.178)

Dracocephalumoid C

(10S,16S)-11,14,16-trihydroxy-12-methoxy-17(15-16),18(4-3)-diabeo-abieta-3,5,8,11,13-pentaen-7-one

C21H26O5 (358.178)

4-(BENZYL(2-(4-NITROPHENOXY)ETHYL)AMINO)BUTANOIC ACID

C19H22N2O5 (358.1529)

PYRONINE B

C21H27ClN2O (358.1812)

Tribendilol

C18H22N4O4 (358.1641)

8-Geranyloxy-5,7-diMethoxycouMarin

C21H26O5 (358.178)

A-674563

(2s)-1-{[5-(3-Methyl-1h-Indazol-5-Yl)pyridin-3-Yl]oxy}-3-Phenylpropan-2-Amine

C22H22N4O (358.1794)

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

C17H26O8 (358.1628)

H-Orn(Z)-OtBu.HCl

C17H27ClN2O4 (358.1659)

1,1,4,4-TETRAPHENYL-1,3-BUTADIENE

C28H22 (358.1721)

2,2-diphenyl-4-piperidin-1-ylbutanamide,hydrochloride

C21H27ClN2O (358.1812)

R(-)-DIHYDRO-5-TRITYLOXYMETHYL-2(3H)-FURANONE

C24H22O3 (358.1569)

(2R,3S,4R,5R)-2-(Aminomethyl)-5-(6-(benzylamino)-1H-purin-9(6H)-yl)tetrahydrofuran-3,4-diol

C17H22N6O3 (358.1753)

tetraisopropyl 1,2-ethylenediphosphonate

C14H32O6P2 (358.1674)

tert-Butyl 4-(5-nitroquinolin-8-yl)piperazine-1-carboxylate

C18H22N4O4 (358.1641)

ethyl (3S)-3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]pent-4-ynoate

C18H22N4O4 (358.1641)

CS-1405

C23H22N2O2 (358.1681)

Acetyl fentanyl hydrochloride

C21H27ClN2O (358.1812)

tert-Butyl 4-(2-formyl-4-(trifluoromethyl)phenyl)piperazine-1-carboxylate

C17H21F3N2O3 (358.1504)

S(+)-DIHYDRO-5-TRITYLOXYMETHYL-2(3H)-FURANONE

C24H22O3 (358.1569)

5-benzoyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,3-dihydro-1H-pyrrolizine-1-carboxamide

C19H22N2O5 (358.1529)

9β,11β-epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione

C21H26O5 (358.178)

Solvent Red 149

C23H22N2O2 (358.1681)

9,10-bis(4-methylphenyl)anthracene

C28H22 (358.1721)

N-{3-Acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanamide hydrochloride (1:1)

C17H27ClN2O4 (358.1659)

MK-0657

Rislenemdaz

C19H23FN4O2 (358.1805)

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.

Pyrrolo[3,2,1-jk][1,4]benzodiazepine-7(1H)-acetic acid, 2-[(1,1-dimethylethoxy)carbonyl]-3,4-dihydro-Alpha-oxo-, methyl ester

C19H22N2O5 (358.1529)

tert-Butyl 4-(5-nitroquinolin-6-yl)piperazine-1-carboxylate

C18H22N4O4 (358.1641)

TERT-BUTYL (4-FORMYL-5-((4-METHOXYBENZYL)OXY)PYRIDIN-3-YL)CARBAMATE

C19H22N2O5 (358.1529)

9,10-bis(3-methylphenyl)anthracene

C28H22 (358.1721)

7-((2-Amino-2-carboxyethyl)thio)-2-(((2,2-dimethylcyclopropyl)carbonyl)amino)-2-heptenoic acid

C16H26N2O5S (358.1562)

16,17-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,15-triol

C21H26O5 (358.178)

Rhosin

C20H18N6O (358.1542)

6-Dehydro Prednisolone

C21H26O5 (358.178)

21-Dehydrocortisone

C21H26O5 (358.178)

N-(4-phenoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide

C23H22N2O2 (358.1681)

N-[2-[2-[2-[[oxo(3-pyridinyl)methyl]amino]ethoxy]ethoxy]ethyl]-3-pyridinecarboxamide

C18H22N4O4 (358.1641)

L-Prolyl-L-tryptophylglycine

C18H22N4O4 (358.1641)

N,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

C20H18N6O (358.1542)

5-[(3s)-3-(2-Methoxybiphenyl-4-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine

C22H22N4O (358.1794)

5-[(3r)-3-(5-Methoxybiphenyl-3-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine

C22H22N4O (358.1794)

15,16-Dimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaene-3,9,17-triol

C21H26O5 (358.178)

2-(3-Methoxy-4-hydroxyphenyl)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran

C21H26O5 (358.178)

(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

C21H26O5 (358.178)

Trimethylcolchicinic acid methyl ether

C20H24NO5+ (358.1654)

3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrouro[3,2-g]isochromene-2,9-dione

C21H26O5 (358.178)

(+)-Ar,11S-Myricanol

C21H26O5 (358.178)

A natural product found in Myrica cerifera.

(+)-(3R)-3-acetoxy-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptane

C21H26O5 (358.178)

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

C21H26O5 (358.178)

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

C21H26O5 (358.178)

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

C21H26O5 (358.178)

A natural product found in Machilus robusta.

rel-(+)-(7S,8S,8S)-4,4-dihydroxy-3,5,5-trimethoxy-2,7-cyclolignan

C21H26O5 (358.178)

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.

(-)-(7R,8R)-Virolin

C21H26O5 (358.178)

A natural product found in Acorus gramineus.

3-[3-[2-(2-Carbamoylphenoxy)-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]propanoic acid methyl ester

C19H22N2O5 (358.1529)

N4-[2-(4-phenoxyphenyl)ethyl]-1,2-dihydroquinazoline-4,6-diamine

C22H22N4O (358.1794)

9,10-Dihydrokadsurenone

C21H26O5 (358.178)

(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)ammonium hydrogen maleate

C12H26N2O10 (358.1587)

4-[(4-Ethoxy-3-methoxyphenyl)-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-5-methyl-1,2-dihydropyrazol-3-one

C18H22N4O4 (358.1641)

1-butyl-1-methyl-3-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)thiourea

C19H26N4OS (358.1827)

3,5-dimethyl-N-[4-[(1-oxo-2-phenylethyl)amino]phenyl]benzamide

C23H22N2O2 (358.1681)

N-[(2-furanylmethylamino)-oxomethyl]-2-[4-(4-hydroxyphenyl)-1-piperazinyl]acetamide

C18H22N4O4 (358.1641)

3-[2-(4-fluorophenyl)-4-quinolinyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine

C22H19FN4 (358.1594)

Pro-Glu-Asn

C14H22N4O7 (358.1488)

Gln-Pro-Asp

C14H22N4O7 (358.1488)

Glu-Pro-Asn

C14H22N4O7 (358.1488)

Asn-Glu-Pro

C14H22N4O7 (358.1488)

Tryptophanyl-glycyl-proline

C18H22N4O4 (358.1641)

Z-[4-(1,2-Diphenyl-1-butenyl)phenoxy]aceticAcid

C24H22O3 (358.1569)

3-(4-hydroxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]propanamide

C19H22N2O5 (358.1529)

(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3-(phenylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C24H23FN2 (358.1845)

N-[[(2R,3S,4R)-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide

C20H23FN2O3 (358.1693)

N-[[(2S,3R,4S)-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide

C20H23FN2O3 (358.1693)

N-[[(2S,3S,4S)-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide

C20H23FN2O3 (358.1693)

(1S,5R)-6-[(4-fluorophenyl)methyl]-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane

C24H23FN2 (358.1845)

Pro-Asp-Gln

C14H22N4O7 (358.1488)

Asn-Pro-Glu

C14H22N4O7 (358.1488)

Trp-Pro-Gly

C18H22N4O4 (358.1641)

Pro-Gly-Trp

C18H22N4O4 (358.1641)

Asp-Pro-Gln

C14H22N4O7 (358.1488)

Asp-Gln-Pro

C14H22N4O7 (358.1488)

Gln-Asp-Pro

C14H22N4O7 (358.1488)

Glu-Asn-Pro

C14H22N4O7 (358.1488)

Gly-Pro-Trp

C18H22N4O4 (358.1641)

Gly-Trp-Pro

C18H22N4O4 (358.1641)

Pro-Asn-Glu

C14H22N4O7 (358.1488)

Pro-Gln-Asp

C14H22N4O7 (358.1488)

Methiothepin(2+)

C20H26N2S2+2 (358.1537)

N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-(4-propan-2-yloxyphenyl)propanamide

C18H22N4O4 (358.1641)

4-(4-Acetamidophenyl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester

C19H22N2O5 (358.1529)

(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

C21H26O5 (358.178)

2,3-Dihydroxypropyl (2-hydroxy-3-octoxypropyl) hydrogen phosphate

C14H31O8P (358.1756)

kadsurenin C

C21H26O5 (358.178)

A neolignan with formula C21H26O5, originally isolated from Piper kadsura.

Delta(6)-prednisolone

C21H26O5 (358.178)

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.

Pro-Trp-Gly

C18H22N4O4 (358.1641)

Trp-Gly-Pro

C18H22N4O4 (358.1641)

ST 18:0;O2;S

C18H30O5S (358.1814)

(1's,3s,4's,7'r,8's,11'r)-6'-ethyl-7',11'-dihydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

C19H22N2O5 (358.1529)

8-[2-(furan-3-yl)-2-oxoethyl]-3-hydroxy-8a-methyl-4,7-dimethylidene-hexahydro-1h-naphthalen-2-yl acetate

C21H26O5 (358.178)

methyl (2s,4ar,6ar,10ar,10br)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1h,2h,4ah,5h,6h,9h,10h,10ah-naphtho[2,1-c]pyran-7-carboxylate

C21H26O5 (358.178)

3-hydroxy-5-propylphenyl 2,4-dihydroxy-6-pentylbenzoate

C21H26O5 (358.178)

5-(2,5-dihydroxyphenyl)-3-{2-[(1r,3s)-3-hydroxy-2,2-dimethyl-6-methylidenecyclohexyl]ethyl}-5h-furan-2-one

C21H26O5 (358.178)

(2s,3r,4s,5s,6r)-2-{4-[(3s)-3-hydroxybutyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

C17H26O8 (358.1628)

methyl 5'-(furan-3-yl)-2,4a-dimethyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate

C21H26O5 (358.178)

(2s,8e,12s)-12,18-dihydroxy-9,13,13-trimethyl-3,14-dioxatricyclo[13.3.1.1²,⁵]icosa-1(19),5(20),8,15,17-pentaen-4-one

C21H26O5 (358.178)

(1r,8r,9s,10s)-5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),5-diene-3,4,15-trione

C21H26O5 (358.178)

4,4,7a-trimethyl-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6,7-dihydro-5h-1-benzofuran-2-one

C17H26O8 (358.1628)

3-{5,7-dimethoxy-2,2-dimethyl-6-[(1z)-3-methylbuta-1,3-dien-1-yl]chromen-8-yl}propanoic acid

C21H26O5 (358.178)

2,4-dimethyl 5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadeca-6,8-diene-2,4-dicarboxylate

C21H26O5 (358.178)

ethyl 5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1⁵,⁸.0¹,¹⁰.0²,⁸]heptadec-12-ene-9-carboxylate

C21H26O5 (358.178)

2-[4-hydroxy-2-(3-hydroxy-3-methylbutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C17H26O8 (358.1628)

methyl (8as)-5'-(furan-3-yl)-2,4a-dimethyl-2'-oxo-2,3,4,7,8,8a-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate

C21H26O5 (358.178)

(1's,3s,4's,7'r,8's,11'r)-6'-ethyl-6,11'-dihydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

C19H22N2O5 (358.1529)

methyl 8-ethenyl-5,9,10-trihydroxy-1,7-dimethyl-2h,3h,3ah,4h,9h,10h,10ah-cyclopropa[f]phenanthrene-1-carboxylate

C21H26O5 (358.178)

7-{[(2e)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-6,8-dimethoxychromen-2-one

C21H26O5 (358.178)

2-[4-(3-hydroxybutyl)-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

C17H26O8 (358.1628)

methyl (1r,2r,5r,5's)-5'-(furan-3-yl)-2,5-dimethyl-2'-oxo-2,3,4,6,7,8-hexahydrospiro[naphthalene-1,3'-oxolane]-5-carboxylate

C21H26O5 (358.178)

7-acetyl-3-oxo-6-(1,3,3-trimethylcyclohexyl)-1h-2-benzofuran-1-yl acetate

C21H26O5 (358.178)

2-methoxy-4-[(1s,2s)-1-methoxy-2-{2-methoxy-4-[(1e)-prop-1-en-1-yl]phenoxy}propyl]phenol

C21H26O5 (358.178)

(4s,6s)-6-[(2r)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-4-methoxy-6-(prop-2-en-1-yl)cyclohex-2-en-1-one

C21H26O5 (358.178)

(9r,9as)-9-hydroxy-6,9a-dimethyl-3-octanoyl-9h-furo[3,2-g]isochromen-2-one

C21H26O5 (358.178)

4-[(2s,3r,4r,5r)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol

C21H26O5 (358.178)

4-[(1s,2r,3s)-4-(2h-1,3-benzodioxol-5-yl)-1-methoxy-2,3-dimethylbutyl]-2-methoxyphenol

C21H26O5 (358.178)

5,8,10-trihydroxy-6-methoxy-1,1,4a-trimethyl-7-(prop-1-en-2-yl)-3,4-dihydro-2h-phenanthren-9-one

C21H26O5 (358.178)

(2e)-3-{3-[(2e,6e)-8-(acetyloxy)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxyphenyl}prop-2-enoic acid

C21H26O5 (358.178)

methyl 4,11b-diformyl-7-methyl-1h,2h,3h,4ah,5h,6h,6ah,7h,11h,11ah-phenanthro[3,2-b]furan-4-carboxylate

C21H26O5 (358.178)

1-(3,4-dimethoxyphenyl)-2-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]propan-1-ol

C21H26O5 (358.178)

methyl (1r,3ar,4ar,9s,10s,10as)-8-ethenyl-5,9,10-trihydroxy-1,7-dimethyl-2h,3h,3ah,4h,9h,10h,10ah-cyclopropa[f]phenanthrene-1-carboxylate

C21H26O5 (358.178)

6'-ethyl-7',11'-dihydroxy-1-methoxy-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-5'-en-2-one

C19H22N2O5 (358.1529)

8-(4-hydroxy-3,5-dimethoxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol

C21H26O5 (358.178)

2-[(2s,7s,8r,8ar)-7-[(4e)-hex-4-enoyloxy]-8,8a-dimethyl-3-oxo-1,2,7,8-tetrahydronaphthalen-2-yl]prop-2-enoic acid

C21H26O5 (358.178)

(3s,7s)-3,7-dihydroxy-1,9-bis(4-hydroxyphenyl)nonan-5-one

C21H26O5 (358.178)

3-hydroxy-5-pentylphenyl 2,4-dihydroxy-6-propylbenzoate

C21H26O5 (358.178)

5-isopropyl-8-methoxy-11,11-dimethyl-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),5-diene-3,4,15-trione

C21H26O5 (358.178)

(1s)-7-acetyl-3-oxo-6-[(1s)-1,3,3-trimethylcyclohexyl]-1h-2-benzofuran-1-yl acetate

C21H26O5 (358.178)

2,4-dimethyl (1s,2s,3s,4s,5s,12r)-5-hydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.0¹,⁹.0³,⁸]pentadeca-6,8-diene-2,4-dicarboxylate

C21H26O5 (358.178)

4-[(1r,2r,3r)-4-(2h-1,3-benzodioxol-5-yl)-1-methoxy-2,3-dimethylbutyl]-2-methoxyphenol

C21H26O5 (358.178)

(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone

(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one

C21H26O5 (358.178)

{"Ingredient_id": "HBIN003156","Ingredient_name": "(1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-4-bicyclo[3.2.1]oct-2-enone","Alias": "(1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-en-4-one; (1R,5S,6R,7R,8R)-3-allyl-6-(3,4-dimethoxyphenyl)-8-hydroxy-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-en-4-one","Ingredient_formula": "C21H26O5","Ingredient_Smile": "NA","Ingredient_weight": "358.43","OB_score": "64.64575322","CAS_id": "145722-88-9","SymMap_id": "SMIT02942","TCMID_id": "NA","TCMSP_id": "MOL000318","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

altissimacouniarin D

C21H26O5 (358.178)

{"Ingredient_id": "HBIN015782","Ingredient_name": "altissimacouniarin D","Alias": "NA","Ingredient_formula": "C21H26O5","Ingredient_Smile": "CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1OC)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34522","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}