Exact Mass: 322.1805
Exact Mass Matches: 322.1805
Found 500 metabolites which its exact mass value is equals to given mass value 322.1805
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gelsemin
Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Zeranol
Zeranol is isolated from Fusarium species. It is an anabolic agent and estrogenic agent (mainly veterinary use). Zeranol is used as a growth promoter for food animals. It was banned by the EU in 1989, but is still permitted in the USA and some other countries. It may also arise in livestock by ingestion of Fusarium contaminated pasture or feeds D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens Same as: D06362
neamine
C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
akuammicine
A monoterpenoid indole alkaloid with formula C20H22N2O2, isolated from several plant species including Alstonia spatulata, Catharanthus roseus and Vinca major.
Mequitazine
Mequitazine is a histamine H1 antagonist (antihistamine). It competes with histamine for the normal H1-receptor sites on effector cells of the gastrointestinal tract, blood vessels and respiratory tract. It provides effective, temporary relief of sneezing, watery and itchy eyes, and runny nose due to hay fever and other upper respiratory allergies. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Same as: D01324 Mequitazine is a potent, and long-acting histamine H1 antagonist.
12alpha-Fluoro-11beta,17beta-dihydroxyandrost-4-en-3-one
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dimethylnaphthalene-1,4-dione
Taleranol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Beta-Zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-Zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].
Gelsemine
Gelsemin is an indole alkaloid. Gelsemine is a natural product found in Gelsemium sempervirens and Gelsemium elegans with data available. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
Butyl (S)-3-hydroxybutyrate glucoside
Butyl (S)-3-hydroxybutyrate glucoside is found in fruits. Butyl (S)-3-hydroxybutyrate glucoside is a constituent of the fruit of mountain papaya Carica pubescens
9-Amino-N-[3-(Dimethylamino)Propyl]Acridine-4-Carboxamide
Apovincaminic acid
3-((Dimethylamino)methyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one
Cytosporone B
Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.
Gelsemin
Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
8-Cyclopentyl-3-(3-fluoro-propyl)-1-propyl-3,7-dihydro-purine-2,6-dione
(-)-jasmonoyl-L-isoleucine
(-)-jasmonoyl-l-isoleucine belongs to isoleucine and derivatives class of compounds. Those are compounds containing isoleucine or a derivative thereof resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom (-)-jasmonoyl-l-isoleucine is practically insoluble (in water) and a weakly acidic compound (based on its pKa). (-)-jasmonoyl-l-isoleucine can be found in a number of food items such as fruits, jerusalem artichoke, sea-buckthornberry, and borage, which makes (-)-jasmonoyl-l-isoleucine a potential biomarker for the consumption of these food products.
Mitoridine
1,4-Naphthalenedione, 6-[2-(2,2-dimethyl-6-methylene-3-oxocyclohexyl)ethyl]-
[1R-(1alpha,4alpha,4aalpha,6alpha,8aalpha)]-6-(Acetyloxy)-1,2,3,4,4a,5,6,8a-octahydro-4-hydroxy-4,7-dimethyl-a-methylene-1-naphthaleneacetic acid methyl ester
CYTOSPORONE B
Cytosporone B (Csn-B; Dothiorelone G) is a naturally occurring nuclear orphan receptor Nur77/NR4A1 agonist with an EC50 of 0.278 nM.
(5R)-5-(4-{(1S,5R)-1-hydroxy-5-[(2R,3E)-2-hydroxypent-3-en-1-yl]-4-oxocyclopent-2-en-1-yl}butyl)dihydrofuran-2(3H)-one
(1beta,7beta,8beta)-8-(acetyloxy)-1-hydroxycostic acid methyl ester|1beta-hydroxy-8beta-acetoxycostic acid methyl ester|1??-Hydroxy-8??-acetoxycostic acid methyl ester
oblongolide M|{(1R,3aS,5aR,7S,9aS,9bR)-1-acetyl-1-hydroxy-1,3,3a,5a,6,7,8,9,9a,9b-decahydro-9b-methylnaphtho[1,2-c]furan-7-yl} methyl acetate
Gelsemine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2295 Annotation level-1 Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects. Gelsemine, an alkaloid from the Chinese herb Gelsemium elegans, is effective in mitigating chronic pain. Antinociceptive effects.
1,5-DI-O-ACETYL-2,3,4,6-TETRA-O-METHYLHEXITOL (1-D)
4-[2-(4-hydroxyphenyl)ethyl]-6-[(3-methyl-2-butenyl)oxy]benzofuran|xinjiastilbene B
6-alpha-acetyl-4-O-oxobedfordiaic acid methyl ester
(2S,4R,6S)-4-acetoxy-2-(3,4-dihydroxyphenyl)-6-pentyltetrahydropyran
flabelliformide A|rel-(4R,4aR,13aS)-4-ethyl-3,4,4a,5,7,13a-hexahydro-2-methyl-1H-pyrido[3,4:5,6]cyclooct[1,2-b]indole-1,6(2H)-dione
(+)-miliusane III|8beta,9beta-dihydroxy-1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
(3aS,5aS,6R,9aR,9bS)-(3a-hydroxy-6,9a,9b-trimethyl-3,7-dioxo-dodecahydrocyclopenta[alpha]naphthalen-6-yl)acetic acid|Barbacenic acid
N(1)-methyl-14,15-didehydro-12-methoxyaspidofractinine
4,10-Dimethyl-14,15-dihydro-7H-cyclohepta[1,2-a:5,4-a]dinaphthalene
1beta-hydroxy-8beta-acetoxy-isocostic acid methyl ester|1beta-hydroxy-8beta-acetoxyisocostic acid methyl ester|1??-Hydroxy-8??-acetoxyisocostic acid methyl ester
Decarboomethoxyapocuanzine|demethoxycarbonyl-apocuanzine|ent-17beta,21-epoxy-12-methoxy-eburnamenine
Asnipyrone A
A member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4,a methyl group at position 3 and a 3,5-dimethyl-6-phenylhexa-1,3,5-trien-1-yl group at position 6 (the 1E,3E,5E stereoisomer). It has been isolated from an endophytic fungus Aspergillus niger.
(-)-(3aS,5R,7aR)-4,4-dimethyl-7a-hydroxymethyl-2-oxo-2,3,3a,4,5,7a-hexahydrobenzo[b]furan-5-yl-3,4-dimethyl-3-pentenoate|3-teracrylmelazolide A
N(1)-formyl-14,15-didehydro-12-hydroxyaspidofractinine
[1R,(?)]-6alpha-Acetyloxy-1,2,3,4,4aalpha,5,6,8aalpha-octahydro-4alpha-hydroxy-4,7-dimethyl-alpha-methylene-1alpha-naphthaleneacetic acid methyl ester
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]-N-methylpyridine-3-carboxamide
(7RS)-5-{(RS)-[(7RS)-6,7-dihydro-7-methyl-5H-cyclopenta[c]pyridin-4-yl]hydroxymethyl}-6,7-dihydro-7-methyl-5H-cyclopenta[c]pyridine-4-carbaldehyde|argutane A
1,4-(propyl-2,2-dioxy)-8alpha-hydroxy-10beta-eudesman-6alpha,12-olide
(1E,3aS,12bS,13aS)-1-ethylidene-1,2,6,7,12,12b,13,13a-octahydro-3a-methylfuro[2,3-g]indolo[2,3-a]quinolizin-4(3aH)-one|Latifoliamide A
3,5-dihydroxy-6-methyl-octanoic acid 5-O-alpha-L-arabinofuranoside
4-[(3,7-Dimethyl-5-oxooctyl)oxy]-3-hydroxybenzoic acid methyl ester
2,4-dimethoxy-2,2-dimethylchromene(5,6,3,4)-stilbene|Di-Me ehter-(E)-7-[2-(2,4-Dihydroxyphenyl)ethenyl]-2,2-dimethyl-2H-1-benzopyran
2,2,6-Trimethyl-4-(butanoyloxymethyl)-5-(2-chloroethyl)indan
Marsectobiose (O4--D-oleandrose)|Marsectobiose [O4-(beta-D-Theretopyranosyl)-D-oleandrose]
Cannagunin|cannagunine|ent-1-methyl-19-oxa-19a-homo-yohimb-16-en-18-one|ent-19-hydroxy-1-methyl-18,19-seco-yohimb-16c-en-18-oic acid lactone
10-methoxy-nor-C-fluorocurarine|10-Methoxynor-C-fluorocurarine
(12Z,19Z)-docosa-12,19-diene-3,5,10,21-tetrayne-1,2(R)-diol|callyspongidiol
L-HYOSCYAMINE SULFATE
L-Hyoscyamine sulfate (Daturine sulfate), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine sulfate is a levo-isomer to Atropine (HY-B1205)[1][2]. L-Hyoscyamine sulfate (Daturine sulfate), a natural plant tropane alkaloid, is a potent and competitive muscarinic receptor (MR) antagonist. L-Hyoscyamine sulfate is a levo-isomer to Atropine (HY-B1205)[1][2].
Koumine N-oxide
C20H22N2O2_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (3Z)
Haplamidine
Origin: Plant; SubCategory_DNP: Putrescine alkaloids, Bisamide alkaloids
Solvent Blue 36
CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10471; ORIGINAL_PRECURSOR_SCAN_NO 10467 CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10492; ORIGINAL_PRECURSOR_SCAN_NO 10487 CONFIDENCE standard compound; INTERNAL_ID 529; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10546; ORIGINAL_PRECURSOR_SCAN_NO 10542
b-Zearalanol
Beta-Zearalenol is an mycotoxin produced by Fusarium spp, which causes apoptosis and oxidative stress in mammalian reproductive cells[1]. Beta-Zearalenol is the derivative of zearalenone (ZEA) which can conjugate with glucuronic acid[2].
8-(3-((2-Carboxypropan-2-yl)oxy)phenyl)octanoic acid
Butyl (S)-3-hydroxybutyrate glucoside
Clostebol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
N-cyclohexyl-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
2-[(4-phenylpiperidin-1-yl)methyl]-1-benzothiophen-5-amine
3-[N,N-Bis(methoxycarbonylethyl)]amino-acetanilide
7-FLUORO-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
N-[4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-yl]-2,2-dimethyl-propionamide
N-Benzyloxycarbonyl-4-[(3R)-3-amino-1-oxo-4-(hydroxy)butyl]morpholine
CIS/TRANS-DISALYCYLIDENE-1,2-CYCLOHEXYLIDENEDIAMINE
tert-butyl4-(3,5-dimethoxyphenyl)piperazine-1-carboxylate
1-BOC-3-[(2-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(3-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
1-BOC-3-[(4-FLUORO-BENZYLAMINO)-METHYL]-PIPERIDINE
(R)-(9H-fluoren-9-yl)Methyl 2-Methylpiperazine-1-carboxylate
tert-butyl 4-(4-nitrophenoxy)piperidine-1-carboxylate
TERT-BUTYL 3-(4-NITROPHENOXY)TETRAHYDRO-1(2H)-PYRIDINECARBOXYLATE
tert-Butyl 4-(2-nitrophenoxy)piperidine-1-carboxylate
tert-butyl 4-(3-amino-2-nitrophenyl)piperazine-1-carboxylate
Benzyl spiro[indoline-3,4-piperidine]-1-carboxylate
1-BENZYL-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDIN]-4(5H)-ONE
4-(4-Chloro-2-Methylphenoxy)-1-piperidin-4-ylmethyl-piperidine
(9H-Fluoren-9-yl)Methyl (pyrrolidin-2-ylmethyl)carbamate
7-methyl-N-[2-(methylamino)phenyl]-2-propyl-3H-benzimidazole-5-carboxamide
(3-Nitro-3,4,5,6-tetrahydro-2H-[1,2]bipyridinyl-4-yl)-carbamic acid tert-butyl ester
1H-Pyrrolo[2,3-b]pyridine, 3-(chloromethyl)-1-[tris(1-methylethyl)silyl]-
4-CHLORO-5-METHYL-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
6-Benzyl-2-(2-phenoxyethyl)-2,6-diazaspiro[3.3]heptan-1-one
buta-1,3-diene,N-(methoxymethyl)-2-methylprop-2-enamide,2-methylprop-2-enoic acid,prop-2-enenitrile
tert-butyl 4-(3-amino-4-nitrophenyl)piperazine-1-carboxylate
N-[(2-Cyano-(1,1-biphenyl)-4-yl)methyl)]valine methyl ester
4,4,5,5-Tetramethyl-2-(4-n-octyl-2-thienyl)-1,3,2-dioxaborolan
6-HYDROXY-1-ISOPROPYL-4-(4-ISOPROPYLPHENYL)QUINAZOLIN-2(1H)-ONE
tert-butyl 3-(2-nitrophenoxy)piperidine-1-carboxylate
thonzylamine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-octylthiophene
1-[2-(oxan-2-yloxy)ethyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
tert-butyl N-[cyano-(3,4,5-trimethoxyphenyl)methyl]carbamate
Methyl 4,5-dimethoxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
TERT-BUTYL 3,5-DIMETHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE-1-CARBOXYLATE
N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide
KC3GI9UM9V
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (2R,3E,5S,7aR,12bS,13R)-
mequitazine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist Same as: D01324 Mequitazine is a potent, and long-acting histamine H1 antagonist.
5-Ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
[(4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
(2E,4E,6E,8E,10E,12E,14E,16E)-4,8,13,17-Tetramethyl-2,4,6,8,10,12,14,16-octadecaoctenedial
(2S,3S,5S,6R,11S)-2-ethenyl-4-methylspiro[1H-indole-3,7-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
(2S,3R,5S,6R,8S,11R)-2-Ethenyl-4-methylspiro[1H-indole-3,7-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one
4-(Methoxymethyl)-6-methyl-2-(4-phenyl-1-piperazinyl)-3-pyridinecarbonitrile
3-Methyl-1-(3-propan-2-yloxypropylamino)-4-pyrido[1,2-a]benzimidazolecarbonitrile
N-methyl-2-phenyl-N-[1-phenyl-2-(1-pyrrolidinyl)ethyl]acetamide
1-Cyclohexyl-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
(E)-N-(4-Morpholin-4-ylmethyl-phenyl)-3-phenyl-acrylamide
(2S)-5-{[azaniumyl(imino)methyl]amino}-2-{[(2S)-2-azaniumyl-3-phenylpropanoyl]amino}pentanoate
[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
(2S,3S)-3-methyl-2-(2-{(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate
N-(morpholin-4-ylcarbonothioyl)tricyclo[4.3.1.1~3,8~]undecane-3-carboxamide
10-[2-(4-Hydroxyphenyl)ethylamino]-2-methyl-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
N-pyrazin-2-yl-2-({1-[2-(1H-pyrazol-1-yl)phenyl]ethyl}amino)acetamide
3,7,7-Trimethyl-4-(4-methylphenyl)-4,4a,6,8-tetrahydro-[1,2]oxazolo[5,4-b]quinolin-5-one
(3R)-N-[(5S)-6-hydroxy-5-[[(3R)-3-isocyanobutanoyl]amino]hexyl]-3-isocyanobutanamide
(5-Acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl) acetate
2-Amino-6-(3-methoxy-4-hydroxycinnamoylamino)hexanoic acid
3-Benzyloxy-2-methylbutane-1,1-dicarboxylic acid diethyl ester
(1alpha,4aR,7alpha)-2,3,4a,9a-Tetrahydro-4abeta,9aalpha-dimethoxy-8-oxaspiro[7H-cyclohepta-1,4-dioxin-7,9-bicyclo[5.2.0]nonane]
(1alpha,7alpha)-2,3,4a,9a-Tetrahydro-4aalpha,9abeta-dimethoxy-8-oxaspiro[7H-cyclohepta[1,4]dioxin-7,9-bicyclo[5.2.0]nonane]
(5E)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
(2S,5E,8R,9R,12R)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraene
(19E)-2,16,19-20-Tetradehydrocuran-17-oic acid methyl ester
N-[(+)-7-isojasmonyl]-L-isoleucinate
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
Phe-Arg(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Phe-Arg; major species at pH 7.3.
Arg-Phe(1+)
A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Arg-Phe; major species at pH 7.3.
Oxotremorine (sesquifumarate)
Oxotremorine sesquifumarate is a mAChR agonist that mainly activates M2 receptors. Oxotremorine sesquifumarate can be used for neurological research[1][2].
UCSF924
UCSF924 is a potent and specific dopamine D4 receptor (DRD4) partial agonist with a EC50 of 4.2 nM. UCSF924 has a high-affinity with a Ki value of 3 nM for DRD4 and shows no measurable affinity for D2, D3 or the F261V/L328F D4 mutant. UCSF924 is a 7.4-fold bias toward arrestin over Gαi/o signaling, referenced to quinpirole[1].
WWL229
WWL229 is a selective inhibitor of carboxylesterase 3 (Ces3) with an IC50 of 1.94 μM. WWL229 promotes lipid storage in cultured adipocytes and prevents basal lipolysis[1].
(1r,5r,8s,9s)-1-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-8,9-dihydroxy-2-oxaspiro[4.5]decane-3,6-dione
methyl (1s,10r,12s,13z,18r)-13-ethylidene-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
(10r,14s,16r,17s)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.0²,¹⁰.0⁴,⁹.0¹⁰,¹⁵.0¹²,¹⁷]icosa-2,4,6,8-tetraen-14-ol
(1s,8r,16s,17s)-12-methoxy-5,15-diazahexacyclo[13.4.2.0¹,¹⁶.0⁵,¹⁶.0⁸,¹⁷.0⁹,¹⁴]henicosa-2,9,11,13-tetraen-21-one
6-hydroxy-13-methoxy-12-methyl-10,14-dioxapentacyclo[11.2.2.1¹,⁹.0²,⁷.0¹²,¹⁸]octadecan-11-one
(1r,15s,21s)-3-methyl-17-oxa-3,13-diazapentacyclo[11.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²¹]docosa-2(10),4,6,8,19-pentaen-18-one
1-[(2r,4as,4br,8s,8ar)-8-hydroxy-8-(hydroxymethyl)-2,4b-dimethyl-4,4a,5,6,7,8a,9,10-octahydro-3h-phenanthren-2-yl]-2-hydroxyethanone
2-methoxy-3,5-dimethyl-6-(10-oxoundecyl)pyran-4-one
6-[2-(3,5-dimethoxyphenyl)ethenyl]-2,2-dimethylchromene
{1-acetyl-1-hydroxy-9b-methyl-3h,3ah,5ah,6h,7h,8h,9h,9ah-naphtho[1,2-c]furan-7-yl}methyl acetate
methyl (1r,11r,12e,17s)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
(1s,14r,15z)-15-ethylidene-5-methoxy-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde
5-{4-[1-hydroxy-5-(2-hydroxypent-3-en-1-yl)-4-oxocyclopent-2-en-1-yl]butyl}oxolan-2-one
(1s,12s,13r,17e,18r)-17-ethylidene-3-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8-tetraen-16-one
2-{8-[(acetyloxy)methyl]-1,5,5-trimethylbicyclo[4.2.1]non-7-en-9-yl}ethyl acetate
n-[2-(2,2-dimethylchromen-6-yl)ethyl]-n-methylpyridine-3-carboxamide
(1s,12s,13r,14r,15e,17r)-15-ethylidene-17-methyl-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraen-17-ium-13-carboxylate
1-[(1s,12s,13r,18r)-20-methyl-15-oxa-3,20-diazapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹³,¹⁸]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
1-[5,6-dihydroxy-1,8-dimethyl-2-(sec-butyl)-4a,5,6,7,8,8a-hexahydro-2h-naphthalen-1-yl]-3-hydroxyprop-2-en-1-one
2-(3,7-dihydroxy-6,8-dimethyldeca-4,8-dien-2-yl)-6-methoxypyran-4-one
(2e,6e,10e)-12-(acetyloxy)-2,6,10-trimethyldodeca-2,6,10-trien-1-yl acetate
6-{2-[(1s)-2,2-dimethyl-6-methylidene-3-oxocyclohexyl]ethyl}naphthalene-1,4-dione
methyl (13z,14s,16s,18s)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraene-18-carboxylate
(1r,4ar,5r,5's,8as)-5-hydroxy-2,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4h-spiro[naphthalene-1,2'-oxolan]-5'-ylacetic acid
n-(4-{[hydroxy(phenyl)methylidene]amino}butyl)-3-phenylprop-2-enimidic acid
2-hydroxy-5-methoxy-6-methyl-3-undecylcyclohexa-2,5-diene-1,4-dione
9a-methoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-8-yl acetate
(3as,5r,7ar)-7a-(hydroxymethyl)-4,4-dimethyl-2-oxo-3a,5-dihydro-3h-1-benzofuran-5-yl 3,4-dimethylpent-3-enoate
[(1s,4as,8s,8as)-8-(acetyloxy)-5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl]methyl acetate
(2e,4e,8e)-11-[(2r,3r)-3-(hydroxymethyl)-4-oxooxetan-2-yl]-3,5,7-trimethylundeca-2,4,8-trienoic acid
12-methoxyvellosimine
{"Ingredient_id": "HBIN000901","Ingredient_name": "12-methoxyvellosimine","Alias": "NA","Ingredient_formula": "C20H22N2O2","Ingredient_Smile": "CC=C1CN2C3CC1C(C2CC4=C3NC5=C4C=CC=C5OC)C=O","Ingredient_weight": "322.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14095","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101190312","DrugBank_id": "NA"}
1β-hydroxy-8β-acetoxycosticacid methyl ester
{"Ingredient_id": "HBIN002406","Ingredient_name": "1\u03b2-hydroxy-8\u03b2-acetoxycosticacid methyl ester","Alias": "NA","Ingredient_formula": "C18H26O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15797","TCMID_id": "9753","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1β-hydroxy-8β-acetoxyisocosticacid methylester
{"Ingredient_id": "HBIN002407","Ingredient_name": "1\u03b2-hydroxy-8\u03b2-acetoxyisocosticacid methylester","Alias": "NA","Ingredient_formula": "C18H26O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15798","TCMID_id": "9755","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-teracrylmelazolide a
{"Ingredient_id": "HBIN009738","Ingredient_name": "3-teracrylmelazolide a","Alias": "NA","Ingredient_formula": "C18H26O5","Ingredient_Smile": "CC(=C(C)CC(=O)OC1C=CC2(C(C1(C)C)CC(=O)O2)CO)C","Ingredient_weight": "322.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "20950","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5321812","DrugBank_id": "NA"}
6-α-acetyl-4-o-oxobedfordiaicmethyl ester
{"Ingredient_id": "HBIN012197","Ingredient_name": "6-\u03b1-acetyl-4-o-oxobedfordiaicmethyl ester","Alias": "NA","Ingredient_formula": "C18H26O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "475","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9'-oxopodopyrone
{"Ingredient_id": "HBIN014177","Ingredient_name": "9'-oxopodopyrone","Alias": "NA","Ingredient_formula": "C19H30O4","Ingredient_Smile": "CCC(=O)CCCCCCCCC1=C(C(=O)C(=C(O1)OC)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alstolactone
{"Ingredient_id": "HBIN015764","Ingredient_name": "alstolactone","Alias": "NA","Ingredient_formula": "C20H22N2O2","Ingredient_Smile": "CC=C1C2CC3C4=C(CC(C2COC1=O)N3)C5=CC=CC=C5N4C","Ingredient_weight": "322.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "995","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101727475","DrugBank_id": "NA"}
benzoylpterosin b
{"Ingredient_id": "HBIN017829","Ingredient_name": "benzoylpterosin b","Alias": "NA","Ingredient_formula": "C21H22O3","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C1=O)C)CCOC(=O)C3=CC=CC=C3)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2267","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}