Exact Mass: 322.15688620000003
Exact Mass Matches: 322.15688620000003
Found 500 metabolites which its exact mass value is equals to given mass value 322.15688620000003
,
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.
Tetraneurin A
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.
16beta-Chlorotestosterone
C19H27ClO2 (322.16994719999997)
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
2-Hydroxyphenylacetic acid glucuronide
10-(Phosphonooxy)decyl methacrylate
C14H27O6P (322.15451720000004)
Apovincaminic acid
3-((Dimethylamino)methyl)-6-methoxy-2-methyl-4-phenylisoquinolin-1(2H)-one
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.
[5aR-(5aalpha,6alpha,8alpha,9abeta,9balpha)]-8-(Acetyloxy)-5,5a,6,7,8,9,9a,9b-octahydro-6-hydroxy-3-(hydroxymethyl)-5a-methyl-9-methylenenaphtho[1,2-b]furan-2(4H)-one
6alpha-Acetoxy-9beta,10beta-epoxy-4alpha-hydroxy-11(13)-guaien-12,8alpha-olide
Mitoridine
13-Acetoxy-4alpha,5alpha-epoxy-8alpha-hydroxy-1(10),7(11)-germacratrien-12,6alpha-olide
3-(hydroxymethyl)-3,3,3a-trimethyl-6-oxo-2,3,3a,4,6,7b-hexahydro-1ah-spiro[naphtho[1,2-b]oxirene-5,2-oxiran]-2-yl acetate
(+)-6-(2-Hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxycoumarin
2alpha-Acetoxy-5alpha-hydroperoxyisosphaerantholide
13-Desacetyl-1alpha-hydroxyafraglaucolide
13-Desacetyl-1beta-hydroxyafraglaucolide
1beta,8alpha-Dihydroxyeremophil-7(11),9-dien-8beta,12-olide
1,4-Naphthalenedione, 6-[2-(2,2-dimethyl-6-methylene-3-oxocyclohexyl)ethyl]-
[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-5-[(Acetyloxy)methyl]-3a,4,6,7,8,8a,9,9a-octahydro-6-hydroperoxy-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
(1R*,3R*,6R*,7R*,8R*)-3-acetoxy-4,10(14),11(13).trien-6,12-olide
1-[4-[[4-(acetyloxy)-3-methyl-2-butenyl]oxy]-2,6-dihydroxyphenyl]-2-methyl-1-propanone
10-acetoxy-8-hydroxy-9-O-angeloylthmol|8-Hydroxy-10-acetoxythymol 9-O-angelate
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
2beta-acetoxy-8alpha,13-dihydroxygermacra-1(10),4,7(11)-trien-6alpha,12-olide
8alpha-Acetoxy-3,4-didehydro-4,5-dihydro-5alpha-hydroperoxyosmitopsin
1,2:4,6-Di-O-ethylidene,3-benzyl-alpha-D-Pyranose-Allose
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
(1aRS,2aSR,6RS,7aSR,9aRS)-6-(acetyloxy)-2,2a,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethylbisoxireno[4,5:8,9]cyclodeca[1,2-b]furan-4(1aH)-one|(3beta,4alpha,6alpha,8beta,9beta,10alpha)-8-(acetyloxy)-3,4:9,10-diepoxygermacr-7(11)-eno-12,6-lactone
13-acetoxy-1beta,8alpha-dihydroxyeudesma-3,7(13)-dien-6alpha,12-olide
8alpha-Acetoxy-1,5-didehydro-4,5-dihydro-4alpha-hydroperoxyosmitopsin
4,10-Dimethyl-14,15-dihydro-7H-cyclohepta[1,2-a:5,4-a]dinaphthalene
13-acetoxy-1beta,8alpha-dihydroxyeudesma-4(15),7(13)-dien-6alpha,12-olide
13-acetoxy-9beta-hydroxy-1beta,10alpha-epoxygermacra-4,7(11)-dien-6alpha,12-olide
Decarboomethoxyapocuanzine|demethoxycarbonyl-apocuanzine|ent-17beta,21-epoxy-12-methoxy-eburnamenine
6beta-acetoxy-7beta,8beta-epoxy-1-oxo-10beta,11betaH-eremorphilan-12,8-olide
(E)-1alpha,10beta-epoxy-3beta-acetoxy-6alpha-hydroxygermacra-4,11(13)-dien-12,8alpha-olide|(E)-1??,10??-Epoxy-3??-acetoxy-6??-hydroxygermacra-4,11(13)-dien-12,8??-olide
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.
2-acetoxy-10beta-hydroxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
N(1)-formyl-14,15-didehydro-12-hydroxyaspidofractinine
2-(1,4-dihydroxycyclohexyl)ethyl caffeate|2-(cis-1,4-dihydroxycyclohexyl)ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
14-acetoxy-4beta,5alpha-epoxydesacetyl laurenobiolide
8-O-acetyl-3,10-dihydroxy-4(15),11(13)-guaiadien-12,6-olide|borenolide
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
2alpha-acetoxy-4alpha,6alpha-dihydroxy-1beta,5alphaH-guai-9(10),11(13)-dien-12,8alpha-olide
A guaiane sesquiterpenoid with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis.
(1RS,3aSR,8aSR)-3-(1-hydroxyhexyl)-3a-methyl-3a,8a-dihydro-3H,4H,5H-benzo[1,2-b;4,5-c]difuran-2,4,5-trione|annulohypoxyboverin
(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
1beta,3beta-dihydroxy-13-acetoxy-eudesma-4(15),7(11)-dien-12,6alpha-olide
6beta-acetoxy-1beta,10alpha-dihydroxyeremophil-7(11),8-diene-12,8-olide
(+)-(3R,4R,5S,6S,7R,8S)-8-acetoxy-3,4-dihydroxyguai-1(10),11(13)-dien-6,12-olide|argyinolide G
3,5-dihydroxy-6-methyl-octanoic acid 5-O-alpha-L-arabinofuranoside
10-acetoxy-8,10-dehydro-9-isobutyryloxy-6-methoxy-thymol
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
C19H27ClO2 (322.16994719999997)
2alpha-acetoxy-6alpha-hydroxy-4alpha,5beta-epoxygermacra-1(10)E,11(13)-dien-12,8alpha-olide
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
2-methyl-4-[2,4,6-trihydroxy-3-(2-methyl-propanoyl)phenyl]but-2-enyl acetate
10-methoxy-nor-C-fluorocurarine|10-Methoxynor-C-fluorocurarine
5alpha,6alpha-epoxy-2alpha-acetoxy-4alpha-hydroxy-1beta,7alpha-guaia-11(13)-en-12,8alpha-olide
L-HYOSCYAMINE SULFATE
C17H24NO5S0.5 (322.16543939999997)
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
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
C17H22O6_[3,8-Dihydroxy-6,9-bis(methylene)-2-oxododecahydroazuleno[4,5-b]furan-3-yl]methyl acetate
C17H22O6_11,13-Dihydroxy-8-methoxy-4-methyl-4,5,6,7,8,9-hexahydro-2H-3-benzoxacyclododecine-2,10(1H)-dione
C20H22N2O2_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-, methyl ester, (3Z)
13,15-dihydroxy-9-methoxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
Haplamidine
Origin: Plant; SubCategory_DNP: Putrescine alkaloids, Bisamide alkaloids
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one [IIN-based: Match]
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
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_major
4,6-dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one_25.9\\%
Butyl (S)-3-hydroxybutyrate glucoside
4,6-Dihydroxy-3-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethyl-2-cyclohexen-1-one
Clostebol
C19H27ClO2 (322.16994719999997)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C2360 - Anabolic Steroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-[(4-phenylpiperidin-1-yl)methyl]-1-benzothiophen-5-amine
3-[N,N-Bis(methoxycarbonylethyl)]amino-acetanilide
(2S)-2-amino-N-(4-methoxynaphthalen-2-yl)-4-methylpentanamide,hydrochloride
7-FLUORO-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
TERT-BUTYL 5-CHLOROSPIRO[INDOLINE-3,4-PIPERIDINE]-1-CARBOXYLATE
N-Benzyloxycarbonyl-4-[(3R)-3-amino-1-oxo-4-(hydroxy)butyl]morpholine
CIS/TRANS-DISALYCYLIDENE-1,2-CYCLOHEXYLIDENEDIAMINE
10-(Phosphonooxy)decyl methacrylate
C14H27O6P (322.15451720000004)
(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
4-[2-(CHLOROMETHYL)BENZIMIDAZOL-1-YL]BUTYL PIVALATE
2,2-azobis[2-(2-imidazolin-2-yl)propane] dihydrochloride
C12H24Cl2N6 (322.14394039999996)
Benzyl spiro[indoline-3,4-piperidine]-1-carboxylate
1-BENZYL-3H-SPIRO[BENZO[B][1,4]OXAZEPINE-2,4-PIPERIDIN]-4(5H)-ONE
(9H-Fluoren-9-yl)Methyl (pyrrolidin-2-ylmethyl)carbamate
(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]-
C17H27ClN2Si (322.16319319999997)
4-CHLORO-5-METHYL-1-(TRIISOPROPYLSILYL)-1H-PYRROLO[2,3-B]PYRIDINE
C17H27ClN2Si (322.16319319999997)
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
6-Benzyl-2-(2-phenoxyethyl)-2,6-diazaspiro[3.3]heptan-1-one
Benzoic acid,1,1-[2,2-(1,2-dimethyl-1,2-ethanediylidene)dihydrazide]
Mesocarb
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist
9-Benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
tert-butyl 4-(3-amino-4-nitrophenyl)piperazine-1-carboxylate
N-[(2-Cyano-(1,1-biphenyl)-4-yl)methyl)]valine methyl ester
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
propyl 3,6-diphenyl-1H-1,2,4,5-tetrazine-2-carboxylate
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
2-hydroxy-3-[3-(trimethoxysilyl)propoxy]propyl methacrylate
C13H26O7Si (322.14477259999995)
N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N-methylnicotinamide
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)-
19-Chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
16beta-Chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
Propanoic acid, 2,3-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
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
(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
10-acetoxy-8-hydroxy-9-O-angeloylthmol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
8-Acetoxy-4,10-dihydroxy-2,11(13)-guaiadiene-12,6-olide
A sesquiterpene lactone and an organic heterotricyclic compound that is 2,3,3a,4,5,6,6a,9,9a,9b-decahydroazuleno[4,5-b]furan substituted by an acetoxy group at position 4, hydroxy groups at positions 6 and 9, methyl groups at positions 6 and 9, a methylidene group at position 3 and an oxo group at position 2. It is a guaianolide isolated from Chrysanthemum boreale and has been shown to exhibit cytotoxic activity against human cancer cell lines.
angelol-J
A member of the class of coumarins that is 7-methoxycoumarin in which the hydrogen at position 6 has been replaced by a 1-ethoxy-2,3-dihydroxy-3-methylbutyl group (the R,R stereoisomer). Originally isolated from the roots of Angelica pubescens, angelol J shows strong inhibitory effects on human platelet aggregation.
1-Cyclohexyl-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea
C17H26N2O2S (322.17148960000003)
(E)-N-(4-Morpholin-4-ylmethyl-phenyl)-3-phenyl-acrylamide
2-(6-amino-2-methyl-4-oxo-3-quinazolinyl)-N-(2-methylphenyl)acetamide
5-hydroxy-asperentin-8-O-methylether
A member of the class of isocoumarins that is asperentin-8-O-methylether substituted by a hydroxy group at position 5. It has been isolated from Chaetomium globosum and Aspergillus flavus.
[(5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanone
N-(2-methyl-4-oxo-1-propyl-6-quinolinyl)-2-pyrazinecarboxamide
N-(morpholin-4-ylcarbonothioyl)tricyclo[4.3.1.1~3,8~]undecane-3-carboxamide
C17H26N2O2S (322.17148960000003)
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
(5-Acetyloxy-1-deuterio-2,3,4,6-tetramethoxyhexyl) acetate
2-Amino-6-(3-methoxy-4-hydroxycinnamoylamino)hexanoic acid
4-chloro-17beta-hydroxyandrost-4-en-3-one
C19H27ClO2 (322.16994719999997)
(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
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].
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
(4r,4ar,5r,6s,9ar)-4,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h-naphtho[2,3-b]furan-6-yl acetate
3'-hydroxy-1',2',5'-trimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
(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
(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
6-[2-(3,5-dimethoxyphenyl)ethenyl]-2,2-dimethylchromene
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
(3as,4r,5r,6s,6ar,9ar,9br)-5,6-dihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(1r,2s,3s,7r,9r,10s,11s,12r,14s)-11-hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,13-dioxatetracyclo[8.4.0.0³,⁷.0¹²,¹⁴]tetradecan-2-yl acetate
(7s,9r,11ar)-7-hydroxy-3-(hydroxymethyl)-6,10-dimethyl-2-oxo-4h,7h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
(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
6-hydroxy-3-[(5-hydroxy-6-methyloxan-2-yl)methyl]-8-methoxy-3,4-dihydro-2-benzopyran-1-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-methyl-4-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]but-2-en-1-yl acetate
n-[2-(2,2-dimethylchromen-6-yl)ethyl]-n-methylpyridine-3-carboxamide
(3s,4s,4'r,6s,7r)-7-ethyl-4'-hydroxy-3,4,7-trimethyl-3,4-dihydro-1h-spiro[2-benzopyran-6,2'-oxolane]-5,5',8-trione
(1's,2's,3'r,7's,9's,10's)-10'-acetyl-3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-one
4-(4-butanoyl-3,5-dihydroxyphenoxy)-2-methylbut-2-en-1-yl acetate
{7,8-dihydroxy-3,6-dimethylidene-2-oxo-octahydro-3ah-azuleno[4,5-b]furan-9-yl}methyl acetate
(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
3,5',7-trimethyl-2,4-dioxo-5,7,8,8a-tetrahydrospiro[cyclohepta[b]furan-6,2'-oxolan]-3'-yl acetate
6-[(2s)-2-hydroxy-3-methoxy-3-methylbutyl]-5,7-dimethoxychromen-2-one
(3as,5r,5as,6s,8r,9as,9bs)-5,6-dihydroxy-5a-methyl-3,9-dimethylidene-2-oxo-octahydronaphtho[1,2-b]furan-8-yl acetate
(7s,9s,11ar)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-9-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
8-(2-hydroxy-3-methoxy-3-methylbutyl)-5,7-dimethoxychromen-2-one
(3r,7s)-12,14-dihydroxy-7-methoxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
n-(4-{[hydroxy(phenyl)methylidene]amino}butyl)-3-phenylprop-2-enimidic acid
(4s,5r,6s)-3,4-dihydroxy-6-(3-hydroxy-2,5-dimethylphenoxy)-5-methoxy-2,5-dimethylcyclohex-2-en-1-one
2-[(1s,4s)-1,4-dihydroxycyclohexyl]ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(3r,3ar,6ar,9s,9ar,9br)-3-(hydroxymethyl)-9-methyl-6-methylidene-2,8-dioxo-octahydroazuleno[4,5-b]furan-3-yl acetate
(1r,4r,5r,6r,8r)-4-hydroxy-2-(hydroxymethyl)-8-methyl-9-oxo-11-oxatricyclo[6.2.1.0¹,⁵]undec-2-en-6-yl (2e)-2-methylbut-2-enoate
7-[(3r)-6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]heptanoic acid
{2-hydroxy-5-methyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-9-yl}methyl acetate
(3s,7s)-12,14-dihydroxy-7-methoxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
{4,6-dihydroxy-5a-methyl-9-methylidene-2-oxo-4h,5h,6h,7h,8h,9ah,9bh-naphtho[1,2-b]furan-3-yl}methyl acetate
1,10-epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide; (1α,2β,5α,6α,8α,10α)-form,11β,13-dihydro,8-ac
{"Ingredient_id": "HBIN000236","Ingredient_name": "1,10-epoxy-2,8-dihydroxy-3,11(13)-guaiadien-12,6-olide; (1\u03b1,2\u03b2,5\u03b1,6\u03b1,8\u03b1,10\u03b1)-form,11\u03b2,13-dihydro,8-ac","Alias": "NA","Ingredient_formula": "C17H22O6","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "202343-11-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9643","PubChem_id": "NA","DrugBank_id": "NA"}
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"}
1,4,8-trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide; (1α,4α,5α,6α,8β)-form,11β,13-dihydro,8-ac
{"Ingredient_id": "HBIN001345","Ingredient_name": "1,4,8-trihydroxy-2,10(14),11(13)-guaiatrien-12,6-olide; (1\u03b1,4\u03b1,5\u03b1,6\u03b1,8\u03b2)-form,11\u03b2,13-dihydro,8-ac","Alias": "NA","Ingredient_formula": "C17H22O6","Ingredient_Smile": "NA","Ingredient_weight": "322.35","OB_score": "NA","CAS_id": "125180-59-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9533","PubChem_id": "NA","DrugBank_id": "NA"}
8,10-dihydroxy-9-acetoxythymol 3-o-tiglate
{"Ingredient_id": "HBIN013507","Ingredient_name": "8,10-dihydroxy-9-acetoxythymol 3-o-tiglate","Alias": "NA","Ingredient_formula": "C17H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15098","TCMID_id": "5750","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,14-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)z,4e,6α,8β)-form,4α,5β-epoxide,14-ac
{"Ingredient_id": "HBIN013544","Ingredient_name": "8,14-dihydroxy-1(10),4,11(13)-germacratrien-12,6-olide; (1(10)z,4e,6\u03b1,8\u03b2)-form,4\u03b1,5\u03b2-epoxide,14-ac","Alias": "NA","Ingredient_formula": "C17H22O6","Ingredient_Smile": "NA","Ingredient_weight": "322.35","OB_score": "NA","CAS_id": "175800-12-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7396","PubChem_id": "NA","DrugBank_id": "NA"}
8-hydroxy-10-acetoxythymol 9-o-angelate
{"Ingredient_id": "HBIN013752","Ingredient_name": "8-hydroxy-10-acetoxythymol 9-o-angelate","Alias": "NA","Ingredient_formula": "C17H22O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15800","TCMID_id": "9760","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"}
9-hydroxy-3,5a,9-trimethyl-2,6-dioxo-3h,3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-4-yl acetate
(3as,5as,7s,9ar,9br)-9a-hydroperoxy-5a-methyl-3,9-dimethylidene-2-oxo-hexahydro-3ah-naphtho[1,2-b]furan-7-yl acetate
[(3r,3ar,6ar,9s,9ar,9br)-3-hydroxy-9-methyl-6-methylidene-2,8-dioxo-octahydroazuleno[4,5-b]furan-3-yl]methyl acetate
methyl (1r,10s,12r,13e)-13-ethylidene-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
4,5-dihydroxy-5-methyl-3,8-dimethylidene-2-oxo-octahydroazuleno[6,5-b]furan-7-yl acetate
[(4as,7r)-7-hydroxy-7-[(1r)-1-hydroxy-2-oxopropyl]-4a-methyl-6-oxo-8,8a-dihydro-5h-naphthalen-1-yl]methyl acetate
2,3,5-trihydroxy-7,10-dimethoxy-2-methyl-1,3,4,4a,9a,10-hexahydroanthracen-9-one
(5e)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.0²,⁷.0⁴,⁹.0⁸,¹².0¹⁴,¹⁹]icosa-1(13),14,16,18-tetraene
(7r,8s)-4,8-dihydroxy-3,8-dimethyl-7-[(2e,4s)-4-methylhex-2-en-2-yl]-7h-pyrano[3,2-c]pyran-2,5-dione
5',6',7',8'-tetramethyl-3-oxo-2',4,6-trioxaspiro[bicyclo[3.1.0]hexane-2,4'-tricyclo[4.2.1.0³,⁷]nonan]-9'-yl acetate
2-{2-[(acetyloxy)methyl]oxiran-2-yl}-4-methoxy-5-methylphenyl 2-methylpropanoate
[(4s,5ar,6r,9as,9br)-4,6-dihydroxy-5a-methyl-9-methylidene-2-oxo-4h,5h,6h,7h,8h,9ah,9bh-naphtho[1,2-b]furan-3-yl]methyl acetate
13-ethylidene-4-methoxy-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-one
12,14-dihydroxy-7-methoxy-3-methyl-4,5,6,7,8,10-hexahydro-3h-2-benzoxacyclododecine-1,9-dione
4,7a-dimethyl (4r,4ar,7r,7ar)-4-hydroxy-4a,7-dimethyl-5h,6h,7h,8h-indeno[5,6-b]furan-4,7a-dicarboxylate
7-(6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl)heptanoic acid
(3as,4r,4as,5r,7s,7as,9ar)-4,5-dihydroxy-5,8-dimethyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-7-yl acetate
2-[(2r)-1-(acetyloxy)-2,3-dihydroxypropan-2-yl]-5-methylphenyl (2e)-2-methylbut-2-enoate
(7r,9r,11ar)-7-hydroxy-3-(hydroxymethyl)-10-methyl-6-methylidene-2-oxo-4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-9-yl acetate
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{2-[(1r,4r)-1,4-dihydroxycyclohexyl]ethoxy}oxane-3,4,5-triol
(3s,3ar,4s,6r,6ar,9bs)-6-hydroxy-3,6,9-trimethyl-2,8-dioxo-3h,3ah,4h,5h,6ah,7h,9bh-azuleno[4,5-b]furan-4-yl acetate
(2e)-2-methyl-4-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]but-2-en-1-yl acetate
8-[(2s)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxy-2-methylchromen-4-one
(10r,14r,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
(7s,8r)-4,8-dihydroxy-3,8-dimethyl-7-[(2e,4r)-4-methylhex-2-en-2-yl]-7h-pyrano[3,2-c]pyran-2,5-dione
1-[(1s,12s,13r,18r)-3-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
5-[(3r)-6,8-dihydroxy-5-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]pentyl acetate
methyl (1s,12s,13r,14r,15e)-15-ethylidene-3,17-diazapentacyclo[12.3.1.0²,¹⁰.0⁴,⁹.0¹²,¹⁷]octadeca-2(10),4,6,8-tetraene-13-carboxylate
(5r,7r)-5-[(s)-hydroxy[(7r)-7-methyl-5h,6h,7h-cyclopenta[c]pyridin-4-yl]methyl]-7-methyl-5h,6h,7h-cyclopenta[c]pyridine-4-carbaldehyde
n-[2-(2-iminoimidazolidin-4-yl)ethyl]-9h-pyrido[3,4-b]indole-3-carboxamide
[(3as,4r,4as,5r,7as,9ar)-4,5-dihydroxy-5-methyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-8-yl]methyl acetate
6-[2-(2,2-dimethyl-6-methylidene-3-oxocyclohexyl)ethyl]naphthalene-1,4-dione
(1r,4r,5r,6r,8r)-4-hydroxy-2-(hydroxymethyl)-8-methyl-9-oxo-11-oxatricyclo[6.2.1.0¹,⁵]undec-2-en-6-yl (2z)-2-methylbut-2-enoate
2-[(1r,2z,5r,8s,8ar)-5-(acetyloxy)-1-hydroxy-8,8a-dimethyl-3-oxo-5,6,7,8-tetrahydro-1h-naphthalen-2-ylidene]propanoic acid
4,9-dimethyl-13-methylidene-14-oxo-3,8,15-trioxatetracyclo[10.3.0.0²,⁴.0⁷,⁹]pentadecan-11-yl acetate
[(3ar,4s,4as,5r,7ar,9ar)-4,5-dihydroxy-5-methyl-3-methylidene-2-oxo-3ah,4h,4ah,6h,7h,7ah,9ah-azuleno[6,5-b]furan-8-yl]methyl acetate
(2s)-2-(4-methoxyphenyl)-8,8-dimethyl-2h,3h,4h-pyrano[2,3-f]chromene
(3s,6s)-3,6-dibenzyl-1,4-dimethylpiperazine-2,5-dione
8-acetyl-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-10-one
2-[(2r)-2-[(acetyloxy)methyl]oxiran-2-yl]-4-methoxy-5-methylphenyl 2-methylpropanoate
[(1s,2s,3s,5s,8z,11s)-2-hydroxy-5-methyl-14-methylidene-13-oxo-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradec-8-en-9-yl]methyl acetate
(3's,5's,6s,7s,8as)-3,5',7-trimethyl-2,4-dioxo-5,7,8,8a-tetrahydrospiro[cyclohepta[b]furan-6,2'-oxolan]-3'-yl acetate
(2s,4r,5e,8r,9s,12r)-5-ethylidene-17-methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.0²,⁷.0⁴,⁹.0⁸,¹².0¹⁴,¹⁹]icosa-1(13),14,16,18-tetraene
[5-(2-chloroethyl)-2,2,6-trimethyl-1,3-dihydroinden-4-yl]methyl butanoate
C19H27ClO2 (322.16994719999997)