Exact Mass: 380.0636502
Exact Mass Matches: 380.0636502
Found 294 metabolites which its exact mass value is equals to given mass value 380.0636502,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Meticillin
C17H20N2O6S (380.10420200000004)
Meticillin is only found in individuals that have used or taken this drug. It is one of the penicillins which is resistant to penicillinase but susceptible to a penicillin-binding protein. It is inactivated by gastric acid so administered by injection. [PubChem]Like other beta-lactam antibiotics, meticillin acts by inhibiting the synthesis of bacterial cell walls. It inhibits cross-linkage between the linear peptidoglycan polymer chains that make up a major component of the cell wall of Gram-positive bacteria. It does this by binding to and competitively inhibiting the transpeptidase enzyme used by bacteria to cross-link the peptide (D-alanyl-alanine) used in peptidogylcan synthesis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Econazole
Econazole is only found in individuals that have used or taken this drug. It is a broad spectrum antimycotic with some action against Gram positive bacteria. It is used topically in dermatomycoses also orally and parenterally. [PubChem]Econazole interacts with 14-alpha demethylase, a cytochrome P-450 enzyme necessary to convert lanosterol to ergosterol. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Econazole may also inhibit endogenous respiration, interact with membrane phospholipids, inhibit the transformation of yeasts to mycelial forms, inhibit purine uptake, and impair triglyceride and/or phospholipid biosynthesis. CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8761; ORIGINAL_PRECURSOR_SCAN_NO 8759 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8812; ORIGINAL_PRECURSOR_SCAN_NO 8810 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8821; ORIGINAL_PRECURSOR_SCAN_NO 8819 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8721; ORIGINAL_PRECURSOR_SCAN_NO 8717 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8770; ORIGINAL_PRECURSOR_SCAN_NO 8769 CONFIDENCE standard compound; INTERNAL_ID 646; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8808; ORIGINAL_PRECURSOR_SCAN_NO 8805 G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Diphyllin
Diphyllin is a lignan. Diphyllin is a natural product found in Haplophyllum alberti-regelii, Haplophyllum bucharicum, and other organisms with data available. Origin: Plant Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3]. Diphyllin is an arylnaphthalene lignan isolated from Justicia procumbens and is a potent HIV-1 inhibitor with an IC50 of 0.38 μM. Diphyllin is active against vesicular stomatitis virus (VSV) and influenza virus[1]. Diphyllin is a vacuolar type H+-ATPase (V-ATPase) inhibitor with an IC50 value of 17 nM and inhibits lysosomal acidification in human osteoclasts[2]. Diphyllin inhibits NO production with an IC50 of 50 μM and has anticancer and anti-inflammatory activities[3].
Tetracenomycin D3
A tetracenomycin that is 1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12.
6-Thioxanthine 5'-monophosphate
C10H13N4O8PS (380.01917080000004)
6-Thioxanthine 5-monophosphate is a metabolite of mercaptopurine. Mercaptopurine (also called 6-mercaptopurine, 6-MP or its brand name Purinethol) is an immunosuppressive drug. It is a thiopurine. (Wikipedia)
Rhodamine 123
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Rhodamine 123
C21H17ClN2O3 (380.09276420000003)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
4-Methoxybenzyl O-(2-sulfoglucoside)
4-Methoxybenzyl O-(2-sulfoglucoside) is found in herbs and spices. 4-Methoxybenzyl O-(2-sulfoglucoside) is found in fenne Found in fennel
Tectorigenin 4'-sulfate
Tectorigenin 4-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Tectorigenin 7-sulfate
Tectorigenin 7-sulfate is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
6-Thioxanthylic acid
C10H13N4O8PS (380.01917080000004)
6-Thioxanthylic acid is a metabolite of azathioprine. Azathioprine is a purine analogue immunosuppressive drug. It is used to prevent rejection following organ transplantation, and to treat a vast array of autoimmune diseases, including rheumatoid arthritis, pemphigus, inflammatory bowel disease, multiple sclerosis, autoimmune hepatitis, atopic dermatitis, myasthenia gravis, neuromyelitis optica or Devics disease, restrictive lung disease, and others. (Wikipedia)
5'-Sulfamoyl-2-chloroadenosine
C10H13ClN6O6S (380.03057880000006)
Piclamilast
C18H18Cl2N2O3 (380.06944180000005)
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
1,4-Diamino-2,3-dicyano-1,4-bis(o-aminophenylmercapto)butadiene
C18H16N6S2 (380.08778159999997)
Edetate sodium
Chelating agent used in food processing. Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate ("six-toothed") ligand and chelating agent S - Sensory organs > S01 - Ophthalmologicals Chelating agent used in food processing
3,4-diacetoxy-5-(benzoyloxymethyl)-5,6-epoxycyclohexan-1,2-diol
4-(1,3-benzodioxol-5-yl)-1-hydroxy-6,7-dimethoxy-1H-benzo[f]isobenzofuran-3-one
2,3,4-Tri-O-Ac,1-O-benzoyl-alpha-D-Pyranose-Lyxose
Verongamine
C15H17BrN4O3 (380.04839519999996)
A monocarboxylic acid amide that is N-[2-(1H-imidazol-4-yl)ethyl]propanamide substituted by a hydroxyimino group at position 2 and a 3-bromo-4-methoxyphenyl group at position 3. A bromotyrosine derivative isolated from the marine sponge Verongula gigantea, it exhibits histamine-H3 antagonist activity.
3-ethyl 3-methyl 4,4,5,5,6,6-hexahydroxy[1,1-biphenyl]-3,3-dicarboxylate
4-Hydroxy-7,8-(methylenedioxy)-9-(6-hydroxy-1,3-benzodioxole-5-yl)naphtho[2,3-c]furan-1(3H)-one
2-O-Acetylcycloleucomelon|Cycloleucomelon-2-acetat|cycloleucomelon-2-acetate
2-carbomethoxy-1,4-naphthohydroquinone-4-O-beta-D-glucopyranoside|rubinaphthin A methyl ester
3,5-Dihydroxy-4-[2,3-dihydroxy-4-methoxy-6-(ethoxycarbonyl)phenoxy]benzoic acid
(4S,5R)-4-hydroxy-5-(8-{[3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl]oxy}octa-2,4,6-triyn-1-yl)dihydrofuran-2(3H)-one|4beta-hydroxy-3,4-dihydrovernoniyne-8-O-beta-glucoside
(4S,5R)-5-(8-hydroxyocta-2,4,6-triyn-1-yl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}dihydrofuran-2(3H)-one|8-hydroxy-3,4-dihydrovernoniyne-4-O-beta-glucoside
O1-(4-Chlor-biphenyl-4-yl)-beta-D-glucopyranuronsaeure|O1-(4-chloro-biphenyl-4-yl)-beta-D-glucopyranuronic acid
10-(3,4-dimethoxyphenyl)-6-hydroxyfuro[3,4:6,7]naphtho[1,2-d]-1,3-dioxol-9(7h)-one
U-0126
C18H16N6S2 (380.08778159999997)
U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
Cys Asp Gly Ser
Cys Asp Ser Gly
Cys Gly Asp Ser
Cys Gly Ser Asp
Cys Ser Asp Gly
Cys Ser Gly Asp
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Asp Cys Ser Gly
Asp Gly Cys Ser
Asp Gly Ser Cys
Asp Ser Cys Gly
Asp Ser Gly Cys
Gly Cys Asp Ser
Gly Cys Ser Asp
Gly Asp Cys Ser
Gly Asp Ser Cys
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4-Methoxybenzyl O-(2-sulfoglucoside)
Tectorigenin 4'-sulfate
Tectorigenin 7-sulfate
1-(naphthalen-2-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
C19H12N2O3S2 (380.02893220000004)
Trisodium phosphate dodecahydrate
H24Na3O16P (380.04950340000005)
1-BOC-5-BROMO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4-PIPERIDINE]
2-(4-((3-AMINO-6-BROMOQUINOLIN-4-YL)AMINO)PHENYL)-2-METHYLPROPANENITRILE
Methyl 4-acetoxy-8-bromo-5-isopropoxy-2-naphthoate
Furo[3,4:6,7]naphtho[2,3-d]-1,3-dioxol-6(8H)- one,5-(3,4-dimethoxyphenyl)-9-hydroxy-
2,2-BIS(4-HYDROXYPHENYL)HEXAFLUOROPROPANE, DISODIUM SALT
C15H8F6Na2O2 (380.0223859999999)
(3-Bromomethyl-4-trifluoromethoxyphenylboronic acid, pinacol ester
C14H17BBrF3O3 (380.0406138000001)
1H-1,4-Diazepine,hexahydro-1,4-bis(phenylsulfonyl)-
C17H20N2O4S2 (380.08644400000003)
(2S,3S)-4-BROMO-CIS-2,3-EPOXYBUTYL (1S)- 10-CAMPHORSULFONATE
C14H21BrO5S (380.02929960000006)
(2R 3R)-4-BROMO-CIS-2 3-EPOXYBUTYL&
C14H21BrO5S (380.02929960000006)
(methylcyclopentadienyl)(1,5-cyclooctadiene)iridium(i)
BIS(ACETONITRILE)(1,5-CYCLOOCTADIENE) RHODIUM(1) TETRAFLUOROBORATE
Benzamide,N-[4-bromo-2-(2-pyridinylcarbonyl)phenyl]-
CHLORO(1,5-CYCLOOCTADIENE)(PENTAMETHYLCYCLOPENTADIENYL)RUTHENIUM
1H-1,4-Diazepine, 1-[(4-chlorophenyl)sulfonyl]-4-(4,6-dimethyl-2-pyrimidinyl)hexahydro- (9CI)
C17H21ClN4O2S (380.10736760000003)
GTS-21
C19H22Cl2N2O2 (380.10582519999997)
GTS-21 dihydrochloride is a selective alpha7 nicotinic acetylcholine receptor (α7-nAChR) agonist with anti?inflammatory and cognition?enhancing activities. GTS-21 dihydrochloride is also a α4β2 (Ki=20 nM for humanα4β2) and 5-HT3A receptor (IC50=3.1 μM) antagonist[1][2].
3-CHLORO-4-[2-(4-CHLOROPHENYL)HYDRAZONO]-2-(4-METHOXYPHENOXY)BUT-2-ENOIC ACID
trisodium phosphate
H24Na3O16P (380.04950340000005)
Nutrient supplement, pH control agent, sequestrant, stabiliser, protein modifier, emulsifier in production of processed cheeses, indirect food additive arising from use as a boiler water additive
2-Methyl-2-propanyl 4-(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)-1-p iperazinecarboxylate
N-(6-isoquinolin-5-ylnaphthalen-2-yl)thiophene-2-carboxamide
1H-Pyrazole-4,5-dione,1-(4-chlorophenyl)-3-methyl-, 4-[2-[3-(trifluoromethyl)phenyl]hydrazone]
CL-387,785
D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
2-benzofuran-1,3-dione,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,furan-2,5-dione
3-[ethyl[4-[(6-nitrobenzothiazol-2-yl)azo]phenyl]amino]propiononitrile
bis(ethyl acetoacetato-O1,O3)[propane-1,3-diolato(2-)-O,O]titanium
4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
1,1-Diphenyl-4,4-bipyridinium dichloride
C22H18Cl2N2 (380.08469679999996)
2-[2-(bromomethyl)-4-(trifluoromethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C14H17BBrF3O3 (380.0406138000001)
n-(2,3,4,5,6-Pentaflouro-benzyl)-4-sulfamoyl-benzamide
C14H9F5N2O3S (380.02540239999996)
1-[(2s)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-Dichlorophenyl)ethyl]-1h-Imidazole
U0126
C18H16N6S2 (380.08778159999997)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2149 - Mitogen-Activated Protein Kinase Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor D004791 - Enzyme Inhibitors U0126 is a potent, non-ATP competitive and selective MEK1 and MEK2 inhibitor, with IC50s of 72 nM and 58 nM, respectively. U0126 is an autophagy and mitophagy inhibitor[1][2][3][4].
1-[(2r)-2-[(4-Chlorobenzyl)oxy]-2-(2,4-Dichlorophenyl)ethyl]-1h-Imidazole
4-(4-Dimethylaminostyryl)-1-ethylpyridinium iodide
rubinaphthin A methyl ester
A member of the class of naphthols that is naphthalen-1-ol substituted by a beta-D-glucopyranosyloxy residue at position 4 and a methoxycarbonyl group at position 2. It has been isolated from the roots of Rubia yunnanensis.
3-nitro-N-[(3-sulfamoylanilino)-sulfanylidenemethyl]benzamide
C14H12N4O5S2 (380.02491019999997)
2-(4-Methoxyphenyl)-2-oxo-1-phenylethyl 2-chlorobenzoate
C22H17ClO4 (380.08153120000003)
5-[2-(2,6-Dioxocyclohexylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester
C17H20N2O6S (380.10420200000004)
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
C19H16N4OS2 (380.07654859999997)
3-[2-(4-Chlorophenyl)-2-oxoethoxy]-1-hydroxy-9-xanthenone
C21H13ClO5 (380.04514780000005)
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo[1,5-A]pyrimidin-7-amine
Piclamilast
C18H18Cl2N2O3 (380.06944180000005)
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058988 - Phosphodiesterase 4 Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
monophosphothiamine
C12H18ClN4O4PS (380.04748680000006)
D018977 - Micronutrients > D014815 - Vitamins
8-Desmethylnovobiocic acid(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of 8-desmethylnovobiocic acid.
4-Hydroxy-6-methylpretetramide(1-)
C20H14NO7- (380.07702340000003)
A phenolate anion that is the conjugate base of 4-hydroxy-6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
[1-(2-amino-7-methyl-4-oxo-7,8-dihydro-3H-pteridin-6-yl)]ethyl diphosphate
C9H12N5O8P2-3 (380.01611119999995)
1-[3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]pyridin-1-ium-2,3-dicarboxylic acid
Pyridinium, 2-[2-[4-(dimethylamino)phenyl]ethenyl]-1-ethyl-, iodide
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
C22H20O4S (380.10822400000006)
4-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]-N,N-dimethylaniline;iodide
4-hydroxybenzoic acid 4-(6-O-sulfo)glucopyranoside
C13H16O11S (380.04133060000004)
A natural product found in Ferula gumosa.
2-Methylsulfonyl-4,6-diphenyl-3-thieno[2,3-b]pyridinamine
C20H16N2O2S2 (380.06531559999996)
2-[4-(Difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester
3-[2-(3-Carboxy-acryloylamino)-biphenyl-2-ylcarbamoyl]-acrylic acid
1-(1-Naphthalenyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]urea
4-[[7-Methoxy-4-oxo-2-(trifluoromethyl)-1-benzopyran-3-yl]oxy]benzoic acid
N-(4-bromophenyl)-5-tert-butyl-2-methyl-4-nitro-3-pyrazolecarboxamide
C15H17BrN4O3 (380.04839519999996)
(5E)-3-(3-chloro-4-fluorophenyl)-2-(propylthio)-5-(thien-2-ylmethylene)-3,5-dihydro-4H-imidazol-4-one
2-[[(2-Chlorophenyl)-oxomethyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
4-[(2-Cyano-1-oxoethyl)amino]benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester
2-[2-methoxy-4-[(E)-2-(8-nitroquinolin-2-yl)ethenyl]phenoxy]acetic acid
sodium 3-aminopropyl 2-acetamido-2-deoxy-alpha-D-glucose-1-phosphate
5,8-Dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-3,7-dimethoxychromen-4-one
methicillin
C17H20N2O6S (380.10420200000004)
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CF - Beta-lactamase resistant penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic A penicillin compound having a (6R)-2,6-dimethoxybenzamido substituent.
econazole
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AF - Imidazole derivatives D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use > D01AC - Imidazole and triazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065088 - Steroid Synthesis Inhibitors > D058888 - 14-alpha Demethylase Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Nogalonate(2-)
An oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
IMB-808
IMB-808 is a potent LXRα/β dual agonist with EC50 values of 0.53 μM and 0.15 μM (0.15 μM, using GAL4-pGL4-luc reporter plasmid) for LXRβ and LXRα, respectively. IMB-808 promotes expression of genes related to reverse cholesterol transport (ABCA1 and ABCG1). IMB-808 can be used as a promising agent for the prospective treatment of atherosclerosis research[1].
(2s)-3-[(2r,3s,4as)-2,3,7-trihydroxy-9-methoxy-4a-methyl-6-oxo-3h,4h-benzo[c]chromen-2-yl]-2-hydroxypropanoic acid
3-[2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
4-[6-(ethoxycarbonyl)-2,3-dihydroxy-4-methoxyphenoxy]-3,5-dihydroxybenzoic acid
4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
6-hydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione
9-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
(3s,9e)-13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
16-(3,4-dimethoxyphenyl)-10-hydroxy-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one
4-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
4-hydroxy-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
8-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-6,7-dimethoxy-3h-naphtho[2,3-c]furan-1-one
5-o-β-d-glucopyranosyl-6-hydroxyangelicin
{"Ingredient_id": "HBIN011837","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-6-hydroxyangelicin","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8663","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-o-β-d-glucopyranosyl-8-hydroxypsoralen
{"Ingredient_id": "HBIN011838","Ingredient_name": "5-o-\u03b2-d-glucopyranosyl-8-hydroxypsoralen","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C3C=COC3=C2O)OC4C(C(C(C(O4)CO)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8676","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6-o-β-d-glucopyranosyl-5-hydroxyangelicin
{"Ingredient_id": "HBIN012641","Ingredient_name": "6-o-\u03b2-d-glucopyranosyl-5-hydroxyangelicin","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C(C3=C2C=CO3)OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8664","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8-o-β-d-glucopyranosyl-5-hydroxypsoralen
{"Ingredient_id": "HBIN013847","Ingredient_name": "8-o-\u03b2-d-glucopyranosyl-5-hydroxypsoralen","Alias": "NA","Ingredient_formula": "C17H16O10","Ingredient_Smile": "C1=CC(=O)OC2=C1C(=C3C=COC3=C2OC4C(C(C(C(O4)CO)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8677","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-9-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
10-(3,4-dimethoxyphenyl)-16-hydroxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
(1s,11r,20r)-6-hydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.1¹,¹³.1³,⁷.0¹¹,²³.0¹⁷,²²]tricosa-3,5,7(23),13(22),14,16-hexaene-8,18-dione
[(2r,3s,4r,5s)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
C10H13ClN6O6S (380.03057880000006)
4-methoxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid
{5-hydroxy-10-methoxy-4-oxo-2-propylbenzo[h]chromen-8-yl}oxidanesulfonic acid
7,13-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.1¹,⁶.1¹²,¹⁶.0²,⁴.0¹⁰,²⁴.0²⁰,²³]tetracosa-6(24),7,9,16(23),17,19-hexaene-5,15-dione
5,7,13,17,19-pentahydroxy-12-oxapentacyclo[11.8.0.0²,¹¹.0³,⁸.0¹⁵,²⁰]henicosa-1,3,5,7,10,15,17,19-octaene-9,21-dione
10-hydroxy-16-(6-hydroxy-2h-1,3-benzodioxol-5-yl)-3,5,13-trioxatetracyclo[7.7.0.0²,⁶.0¹¹,¹⁵]hexadeca-1,6,8,10,15-pentaen-14-one
12,13-dihydroxy-10,11-dimethoxy-5-(2-phenylethenyl)-6,8-dioxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),4,10,12-pentaen-3-one
(9r,10s)-4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
5-(1,2-dihydroxyethyl)-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
11-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-12-methoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4-carboxylic acid
(3r,9e)-13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
3-chloro-6-(2,4-dihydroxy-6-propylphenoxy)-4-hydroxy-2-propylbenzoic acid
C19H21ClO6 (380.10265960000004)
10-(4-hydroxy-3-methoxyphenyl)-16-methoxy-4,6,13-trioxatetracyclo[7.7.0.0³,⁷.0¹¹,¹⁵]hexadeca-1,3(7),8,10,15-pentaen-12-one
[(2r,3s,4r,5r)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
C10H13ClN6O6S (380.03057880000006)
[(2r,3s,4s,5s)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate
C10H13ClN6O6S (380.03057880000006)
{3,4,5-trihydroxy-6-[(5-methyl-2-oxochromen-4-yl)oxy]oxan-2-yl}methyl acetate
4-methoxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}naphthalene-2-carboxylic acid
4-(2h-1,3-benzodioxol-5-yl)-9-hydroxy-6,7-dimethoxy-2h-naphtho[2,3-b]furan-3-one
(2r,3e)-2-{[(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-5-phosphonopent-3-enoic acid
3-ethyl 3'-methyl 4,4',5,5',6,6'-hexahydroxy-[1,1'-biphenyl]-3,3'-dicarboxylate
(1s,2r,4s,5r,10s,11s,13r,14r,15r,18r)-5-[(1r)-1,2-dihydroxyethyl]-14-hydroxy-10,15-dimethyl-3,6,12,17-tetraoxahexacyclo[8.7.1.0²,⁴.0⁴,⁹.0¹¹,¹³.0¹⁵,¹⁸]octadec-8-ene-7,16-dione
(2s,5r,6r)-6-{[(2,6-dimethoxyphenyl)(hydroxy)methylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C17H20N2O6S (380.10420200000004)
(2r)-3-(3-hydroxy-7-methoxy-2-methylidene-1,4-benzoxazine-5-carbonylsulfanyl)-2-[(1-hydroxyethylidene)amino]propanoic acid
9-(2h-1,3-benzodioxol-5-yl)-7-hydroxy-4,6-dimethoxy-3h-naphtho[2,3-c]furan-1-one
5-hydroxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-h]chromen-8-one
9-hydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-3-yl sulfonate
(1,8-dihydroxy-6-methoxy-3-methyl-9,10-dioxoanthracen-2-yl)oxidanesulfonic acid
9-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
3-[(1e)-2-(3,4-dihydroxyphenyl)ethenyl]-8,9-dihydroxypyrano[4,3-c]isochromene-1,6-dione
(3s,9z)-13-chloro-14-hydroxy-16-methoxy-3-methyl-3,4,5,7,8,12-hexahydro-2-benzoxacyclotetradecine-1,6,11-trione
C19H21ClO6 (380.10265960000004)
[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(5-methyl-2-oxochromen-4-yl)oxy]oxan-2-yl]methyl acetate
6,7-dihydroxy-21-methoxy-17,17-dimethyl-3,12,16-trioxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(13),2(10),4(9),5,7,14,18,20-octaen-11-one
(9r,10r)-4,6,9,12,14-pentahydroxy-10-(4-hydroxyphenyl)tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
9-hydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}furo[3,2-g]chromen-7-one
(2e)-3-(3-bromo-4-methoxyphenyl)-2-(n-hydroxyimino)-n-[2-(3h-imidazol-4-yl)ethyl]propanimidic acid
C15H17BrN4O3 (380.04839519999996)