Exact Mass: 382.20752000000005
Exact Mass Matches: 382.20752000000005
Found 500 metabolites which its exact mass value is equals to given mass value 382.20752000000005,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyrvinium
C26H28N3+ (382.22831080000003)
Pyrvinium, also known as molevac or pyrcon, belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole ring through a CC or CN bond. Pyrvinium is considered to be a practically insoluble (in water) and relatively neutral molecule. P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
Cinncassiol C3
Cinncassiol C3 is found in herbs and spices. Cinncassiol C3 is a constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Constituent of cinnamoni cortex, the dried bark of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C3 is found in herbs and spices.
Hydroxysenkirkine
C19H28NO7+ (382.18656780000003)
(3R)-3-hydroxy-16-methoxy-1,2-didehydro-2,3-dihydrotabersonine
C22H26N2O4 (382.18924760000004)
Tofisopam
C22H26N2O4 (382.18924760000004)
Tofisopam (marketed under brand names Emandaxin and Grandaxin) is a 2,3-benzodiazepine drug which is a benzodiazepine derivative. In contrast to classical 1,4-benzodiazepines, the compound does not bind to the benzodiazepine binding site of the gamma-aminobutyric acid receptor and its psychopharmacological profile differs from such compounds. Although Tofisopam is not approved for sale in North America, it is approved for use in various countries worldwide, including parts of Europe. The D-enantiomer (dextofisopam) is currently in phase II trials in the U.S. for the treatment of irritable bowel syndrome. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
T2 Triol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins T2 Triol is a mycotoxin from Fusarium sporotrichiell Mycotoxin from Fusarium sporotrichiella
Farnesiferol A
Constituent of Ferula assa-foetida (asafoetida) and other Ferula subspecies Farnesiferol A is found in herbs and spices and green vegetables. Gummosin is found in herbs and spices. Gummosin is from Ferula gummosa (galbanum).
1-tetradecanoyl-sn-glycero-3-phosphate
C17H35O7P (382.21202900000003)
1-tetradecanoyl-sn-glycero-3-phosphate is also known as 1-Myristoyl lysophosphatidic acid or (2R)-2-Hydroxy-3-(phosphonooxy)propyl myristate. 1-tetradecanoyl-sn-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-tetradecanoyl-sn-glycero-3-phosphate is a glycerophosphate lipid molecule
Gancaonin R
Gancaonin R is found in herbs and spices. Gancaonin R is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin R is found in herbs and spices.
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
(3beta,5alpha,9xi,10beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices. (3beta,5alpha,9xi,10beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is a constituent of Ferula galbaniflua (galbanum). Constituent of Ferula galbaniflua (galbanum). (3a,5a,9x,10b)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone is found in herbs and spices.
Farnesiferol B
Farnesiferol B is found in green vegetables. Farnesiferol B is a constituent of Ferula assa-foetida (asafoetida)
Assafoetidin
Constituent of Ferula assa-foetida (asafoetida). Assafoetidin is found in herbs and spices and green vegetables. Assafoetidin is found in green vegetables. Assafoetidin is a constituent of Ferula assa-foetida (asafoetida).
(-)-Farnesiferol C
(-)-Farnesiferol C is found in green vegetables. (-)-Farnesiferol C is a constituent of Ferula assa-foetida (asafoetida)
Foetidin
Constituent of the roots of Ferula assa-foetida (asafoetida). Foetidin is found in herbs and spices and green vegetables. Foetidin is found in green vegetables. Foetidin is a constituent of the roots of Ferula assa-foetida (asafoetida).
Cinncassiol A
Cinncassiol A is found in herbs and spices. Cinncassiol A is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol A is found in herbs and spices.
12-Oxo-20-trihydroxy-leukotriene B4
12-Oxo-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 12-Oxo-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside is found in herbs and spices. 1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). trans-1,2,10-Trihydroxydihydrolinalyl oxide 7-glucoside is found in herbs and spices.
LysoPA(i-14:0/0:0)
C17H35O7P (382.21202900000003)
LysoPA(i-14:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(i-14:0/0:0), in particular, consists of one chain of isotetradecanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
1,4-Bis((o-tolyloxy)acetyl)piperazine
C22H26N2O4 (382.18924760000004)
6-Deoxy-4-O-(3,6-di-O-methyl-beta-D-glucopyranosyl)-2,3-di-O-methyl-alpha-L-mannopyranose
1-(2,3-Bis((4-methoxyphenyl)methoxy)propyl)-1H-imidazole
C22H26N2O4 (382.18924760000004)
Corynoxeine
C22H26N2O4 (382.18924760000004)
serofendic acid
C21H34O4S (382.21776840000007)
Sumarotene
Tetramethylchromanol glucoside
1ST159055
C22H26N2O4 (382.18924760000004)
Isocorynoxeine is a natural product found in Uncaria tomentosa, Mitragyna parvifolia, and other organisms with data available. See also: Cats Claw (part of). Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM. Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM. Isocorynoxeine, an isorhynchophylline-related alkaloid, exhibits a dose-dependent inhibition of 5-HT2A receptor-mediated current response with an IC50 of 72.4 μM.
27KIC0Q2VA
C22H26N2O4 (382.18924760000004)
Corynoxeine is a natural product found in Uncaria tomentosa, Mitragyna inermis, and other organisms with data available. See also: Cats Claw (part of). Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation. Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation. Corynoxeine, isolated from the hook of Uncaria rhynchophylla, is a potent ERK1/ERK2 inhibitor of key PDGF-BB-induced vascular smooth muscle cells (VSMCs) proliferation.
Viguilenin
An organic heterocricyclic compound and germacranolide with formula C20H30O7 isolated from Viguiera linearis.
Methyl 8beta,17-epoxy-3beta,7beta,15-trihydroxy-12(E)-labden-16-oate
Gelsempervine A
C22H26N2O4 (382.18924760000004)
14,15-Dehydro-12-methoxyvincamine
C22H26N2O4 (382.18924760000004)
[1R-(1R*,2S*,6S*,9S*)]-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene-2,6-diol 6-acetate 2-benzoate
Methyl 12-methoxy-19-oxoibogamine-18-carboxylate
C22H26N2O4 (382.18924760000004)
Stemphyloxin I
An octahydronaphthalene that is 2,4,5,7-tetramethyloctahydronaphthalen-1(2H)-one which is substituted by hydroxy groups at positions 2 and 7, a (2R)-1-hydroxybutan-2-yl group at position 3, and a (2Z)-3-hydroxyprop-2-enoyl group at position 4 (the 2S,3R,4R,4aS,5R,7R,8aS stereoisomer). Isolated from the endophytic fungus Stemphylium botryosum, it is the causal agent of leaf spot and foliage blight disease in tomatoes. Its phytotoxcity is at least 200 times greater than that of stemphyloxin II. It shows high affinity for Fe(3+) (but not Fe(2+)) ions.
3-Hydroxy-5-methyl-2-[8-oxo-farnesyl]-coumaran-3-one
1alphaH,7alphaH,8alphaH,10betaH-2alpha-Tigloyloxy-4beta,11alpha,13-trihydroxy-pseudoguaian-8,12-olide
[1R-[1alpha(E),2alpha,4abeta,5beta]]-1,2,3,4,4a,5,6,7-Octahydro-5-hydroxy-4a,8-dimethyl-2-(1-methylethyl)-7-oxo-1-naphthalenyl ester 3-phenyl-2-propenoic acid
Tirotundifolin E
14,15-Dihydro-10-methoxykopsinone
C22H26N2O4 (382.18924760000004)
ADB-FUBINACA
C21H23FN4O2 (382.18049499999995)
(1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
methyl (1S,12S,13E)-13-ethylidene-18-(hydroxymethyl)-4-methoxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
C22H26N2O4 (382.18924760000004)
(Z)-3,8-Dihydro-6,6;7,3??-diligustilide|3,8-Dihydro-6,6:7,3a-diliguetilide
(+)-protopraesorediosic acid|(2R,3S)-Protopraesorediosic acid
1-Acetoxyprotolichesteric acid|13-acetoxyprotolichesterinic acid
3beta-(2-methylbutyryloxy)-8beta,10beta-dihydroxy-6beta-methoxyeremophilenolide
6beta,9beta-dihydroxypulchellin-2-O-<2-methylbutyrate>|Pulchelloid B
17(S),20(R)-pregn-5-ene-3beta,11alpha,12beta,14beta,19,20-hexol|volubilol
2,3-Dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
3beta-hydroxy-6beta-cynnamoyloxy-eudesm-4-en-1-one
5-O-(3-carboxypropionyl)-4-oxo-4,6,7,8,9,10,11,12,13,14,16-undecadeoxy-D-glycero-D-glycero-(E)-2-hexadecenono-1,15-lactone|Antibiotic A26771B
(16S,19E)-2,17-epoxy-9,10,12-trimethoxy-(7betaC2)-5beta,16-cyclo-corynoxa-1,19-diene|(19E)-18-demethoxy-gardneramine|18-Desmethoxy-gardneramin|19(E)-18-demethoxygardneramine
C22H26N2O4 (382.18924760000004)
3-carboxy-5-(carboxymethyl)-4-tetradecyl-1-oxacyclopent-3-en-2-one
kopsifoline A|methyl (1R,4R,5R,13R,20S)-5-hydroxy-8-methoxy-6,16-diazahexacyclo[11.6.1.11.4.05.13.07.12.016.20]henicosa-7(12),8,10,18-tetraene-4-carboxylate
C22H26N2O4 (382.18924760000004)
4alpha-hydroxy-3alpha-(2-methyl-2,3-epoxybutyryloxy)-11-hydroperoxy-eudesm-6-en-8-one
N(1)-Methoxy-19,20-dehydroervatamine|N1-Methoxy-19,20-dehydroervatamine
C22H26N2O4 (382.18924760000004)
N1-Methoxy-19,20-dehydroervatamine
C22H26N2O4 (382.18924760000004)
cleroda-1-one-2-en-11beta,15,16,18-tetraol-12, 19-olide|tinosporaclerodanoid
13-Phenylacetoxy-lupanin|phenyl-acetic acid 11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester
baigene B|rel-(2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2,3-dihydro-8-hydroxy-2,3-dimethyl-4H-furo[2,3-b][1]benzopyran-4-one
(1S,4S,5S,6R,7S,10S,11R)-1,4-dihydroxy-2-oxo-5-angeloxyxanthan-6,12-olide
(21E?)-11xi-Hydroxy-19-methyl-11,24-cyclo-11,12;16,19;23,24-triseco-strychnidin-10,16-dion|(21E?)-11xi-hydroxy-19-methyl-11,24-cyclo-11,12;16,19;23,24-triseco-strychnidine-10,16-dione|Holstiine
C22H26N2O4 (382.18924760000004)
2alpha-(2-methylbutyryloxy)-dugaldiolide|2alpha-<2-methylbutyryloxy>-dugaldiolide
brasiliamide E|cis-1-acetyl-2-benzyl-5-(3-methoxy-4,5-methylenedioxybenzyl)piperazine
C22H26N2O4 (382.18924760000004)
3-hydroxymethyl-1-methyl-aspidofractinine-3-carboxylic acid methyl ester|Pleiocarpolinin
(+)-pyrifoline|1-acetyl-6,17-dimethoxy-aspidofractinine|Pyrifolin
19(E)-11-methoxy-9,18-didemethoxygardneramine
C22H26N2O4 (382.18924760000004)
A natural product found in Gardneria ovata.
(3S,16R)-17,21-epoxy-3,17-dihydroxy-1,4-dimethyl-1H-2alpha,4-cyclo-3,4;4,21-diseco-akuammilane-16-carboxylic acid 3-lactone|(6S)-4-(E)-ethylidene-1c-hydroxy-7,16-dimethyl-(4at)-4,4a,5,6-tetrahydro-2H,7H-6ac,11bc-[1]azapropano-6r,11cc-oxaethano-pyrano[4,3-c]carbazol-12-one|Isocorymin|isocorymine
C22H26N2O4 (382.18924760000004)
17-methoxy-2-oxo-corynoxa-16,20-diene-16-carboxylic acid methyl ester|Isorhynchophyllin
C22H26N2O4 (382.18924760000004)
7-{[(1S,4aS,6S,8aR)-6-hydroxy-1,2,5,5-tetramethyl-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one|fnarthexol
6beta,11alpha,15alpha,16beta-tetrahydroxy-6alpha,20-epoxy-6,7-seco-entkaur-1alpha,7-olide|sculponin Q
amyl-1-O-beta-D-apiofuranosyl-1,6-O-beta-D-glucopyranoside
1,2-butanediol 1-O-beta-D-glucopyranoside 6?-O-(2?S,3?R)-2?ethyl-2?,3?-dihydroxybutyrate|microtropin F
2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-3-[4,8-dimethyl-3(E),7-nonadienyl]-furo[3,2-c]coumarin
10-Hydroxy-11-methoxytabersonine|15-hydroxy-16-methoxy-2,3,6,7-tetradehydro-aspidospermidine-3-carboxylic acid methyl ester|Hydroxy-methoxy-tabersonin|jerantinine A
C22H26N2O4 (382.18924760000004)
17-hydroxy-3,20-dimethyl-yohimbane-16-carboxylic acid methyl ester
12-Methoxy-20-oxo-ibogamin-18-carbonsaeure-methylester|12-methoxy-20-oxo-ibogamine-18-carboxylic acid methyl ester
C22H26N2O4 (382.18924760000004)
(3aR,3bR,4R,5S,7aS,8R,8aR)-1,3a,3b,4,5,6,7,7a,8,8a-decahydro-3a,3b,7a,8a-tetrahydroxy-2-[(2S)-1-hydroxypropan-2-yl]-3,5,8-trimethyl-4,8-(epoxyethano)cyclopenta[a]inden-10-one|cinnacasol
methyl 12-methoxy-N-decarbomethoxychanofruticosinate|methyl 12-methoxy-N1-decarbomethoxychanofruticosinate
C22H26N2O4 (382.18924760000004)
Epi-17-O-methyl-11-methoxy-diabolin
C22H26N2O4 (382.18924760000004)
LPA 14:0
C17H35O7P (382.21202900000003)
Acquisition and generation of the data is financially supported in part by CREST/JST.
reserpiline
C22H26N2O4 (382.18924760000004)
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.759 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.758 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.762
1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt
C17H35O7P (382.21202900000003)
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
C22H26N2O4_2H-2,7a-Methanoindolo[2,3-a]quinolizine-13-carboxylic acid, 3-ethylidene-1,3,4,6,7,12b-hexahydro-13-(hydroxymethyl)-9-methoxy-, methyl ester, (2S,3E,7aS)
C22H26N2O4 (382.18924760000004)
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one
tofisopam
C22H26N2O4 (382.18924760000004)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
N-methyl-10-methoxy-16-epi-pericyclivine N-oxide
C22H26N2O4 (382.18924760000004)
Reserpinine
C22H26N2O4 (382.18924760000004)
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Yohimbinoid alkaloids, Indole alkaloids
O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
Feselol
A natural product found in Ferula gumosa. Origin: Plant, Coumarins, Coumarin terpenoids, Sesquiterpenoids, Ferula terpenoids
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848159]
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based on: CCMSLIB00000845968]
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based: Match]
7-[[(1S,4aS,6S,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848158]
7-[[(1S,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one [IIN-based on: CCMSLIB00000848947]
7-[(6-hydroxy-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)methoxy]chromen-2-one [IIN-based: Match]
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one_major
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)methoxy]chromen-2-one_56.3\\%
Ala Gly His Val
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Ala His Val Gly
Ala Pro Pro Val
Ala Pro Val Pro
Ala Val Gly His
Ala Val His Gly
Ala Val Pro Pro
Gly Ala His Val
Gly Ala Val His
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Gly Gly His Leu
Gly Gly Ile His
Gly Gly Leu His
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Gly His Gly Leu
Gly His Ile Gly
Gly His Leu Gly
Gly His Val Ala
Gly Ile Gly His
Gly Ile His Gly
Gly Ile Pro Pro
Gly Leu Gly His
Gly Leu His Gly
Gly Leu Pro Pro
Gly Pro Ile Pro
Gly Pro Leu Pro
Gly Pro Pro Ile
Gly Pro Pro Leu
Gly Val Ala His
Gly Val His Ala
His Ala Gly Val
His Ala Val Gly
His Gly Ala Val
His Gly Gly Ile
His Gly Gly Leu
His Gly Ile Gly
His Gly Leu Gly
His Gly Val Ala
His Ile Gly Gly
His Leu Gly Gly
His Val Ala Gly
His Val Gly Ala
Ile Gly Gly His
Ile Gly His Gly
Ile Gly Pro Pro
Ile His Gly Gly
Ile Pro Gly Pro
Ile Pro Pro Gly
Leu Gly Gly His
Leu Gly His Gly
Leu Gly Pro Pro
Leu His Gly Gly
Leu Pro Gly Pro
Leu Pro Pro Gly
Pro Ala Pro Val
Pro Ala Val Pro
Pro Gly Ile Pro
Pro Gly Leu Pro
Pro Gly Pro Ile
Pro Gly Pro Leu
Pro Ile Gly Pro
Pro Ile Pro Gly
Pro Leu Gly Pro
Pro Leu Pro Gly
Pro Pro Ala Val
Pro Pro Gly Ile
Pro Pro Gly Leu
Pro Pro Ile Gly
Pro Pro Leu Gly
Pro Pro Val Ala
Pro Val Ala Pro
Pro Val Pro Ala
Val Ala Gly His
Val Ala His Gly
Val Ala Pro Pro
Val Gly Ala His
Val Gly His Ala
Val His Ala Gly
Val His Gly Ala
Val Pro Ala Pro
Val Pro Pro Ala
PA(14:0/0:0)
C17H35O7P (382.21202900000003)
PA(14:0/0:0)[U]
C17H35O7P (382.21202900000003)
Mogoltadin
Kopeodin
Farnesiferol C
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-b-D-glucopyranoside
Foetidin
Assafoetidin
T2 Triol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferone
17-Hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione acetate
TRANS,TRANS-3,4,5-TRIFLUOROPHENYL 4-PROPYLBICYCLOHEXYL-4-CARBOXYLATE
methyl (19alpha)-16,17-didehydro-11-methoxy-19-methyloxayohimban-16-carboxylate
C22H26N2O4 (382.18924760000004)
1-(4-METHOXYBENZYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
((4-((4-ETHYNYLPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIISOPROPYLSILANE
Calpain Inhibitor III
C22H26N2O4 (382.18924760000004)
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015853 - Cysteine Proteinase Inhibitors
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(2-methoxyethyl)-N-[(4-methylphenyl)methyl]- (9CI)
C21H26N4OS (382.18272260000003)
N,N-bis(3-Trimethoxysilylpropyl)urea
C14H34N2O6Si2 (382.19553039999994)
1-decyl-2,3-dimethylimidazolium hexafluorophosphate
1-Ethoxy-2,3-difluoro-4-[[4-(trans-4-propylcyclohexyl)phenyl]ethynyl]benzene
C25H28F2O (382.21081019999997)
4-(3-(4-(tert-butoxycarbonyl)piperazin-1-yl)propoxy)-3-fluorophenylboronic acid
C18H28BFN2O5 (382.20752000000005)
trans-4-Propylcyclohexanecarboxylic acid 2,3-dicyano-4-(pentyloxy)phenyl ester
MALACHITE GREEN CARBINOL HYDROCHLORIDE
C23H27ClN2O (382.18118020000003)
Gdc-0084
C18H22N8O2 (382.18656319999997)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor D004791 - Enzyme Inhibitors
Dextofisopam
C22H26N2O4 (382.18924760000004)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29698 - Antispasmodic Agent
Levotofisopam
C22H26N2O4 (382.18924760000004)
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
Jerantinine A
C22H26N2O4 (382.18924760000004)
An indole alkaloid that is tabersonine substituted by hydroxy group at position 10 and a methoxy group at position 11. Isolated from Tabernaemontana corymbosa and Hazunta modesta, it exhibits cytotoxicity against human KB cells.
7-[[(1R,4aS,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-1-benzopyran-2-one
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
(1S,2S,4R,8S,9R,11S,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0(4,8)]tetradecan-9-yl 2-methylbutanoate
(R)-(1-((1-Methylpiperidin-2-yl)methyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone
2-{5-[Amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-YL}-6-[(2-methylcyclohexyl)oxy]benzenolate
C21H23FN4O2 (382.18049499999995)
6-Carbamimidoyl-2-[2-hydroxy-6-(4-hydroxy-phenyl)-indan-1-YL]-hexanoic acid
C22H26N2O4 (382.18924760000004)
4-[(2-{4-[(Cyclopropylcarbamoyl)amino]-1H-pyrazol-3-YL}-1H-benzimidazol-6-YL)methyl]morpholin-4-ium
Methyl 11-methoxy-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate
C22H26N2O4 (382.18924760000004)
(2S,5S)-6-[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-2,5-bis(azaniumyl)hexanoate
methyl (1R,13R,20S)-13-ethyl-5-methoxy-10-oxa-8,17-diazahexacyclo[11.6.1.01,9.02,7.09,11.017,20]icosa-2(7),3,5,14-tetraene-11-carboxylate
C22H26N2O4 (382.18924760000004)
methyl (Z)-2-(6-ethenyl-2-oxospiro[1H-indole-3,1-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7-yl)-3-methoxyprop-2-enoate
C22H26N2O4 (382.18924760000004)
2-(Hydroxymethyl)-6-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methyl]oxane-3,4,5-triol
1,1,4,4-tetramethyl-6-[(Z)-1-(4-methylsulfonylphenyl)prop-1-en-2-yl]-2,3-dihydronaphthalene
Ala-Val-Pro-Pro
A tetrapeptide composed of L-alanine, L-valine, and two L-proline units joined in sequence by peptide linkages.
4-[[(1R,6R,8aR)-6-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]chromen-2-one
6-Deoxy-4-O-(3,6-di-O-methyl-beta-D-glucopyranosyl)-2,3-di-O-methyl-alpha-L-mannopyranose
Leu-Asn-His
A tripeptide composed of L-leucine, L-asparagine and L-histidine joined in sequence by peptide linkages.
2-Cyano-2-[3-(4-morpholinyl)-2-quinoxalinyl]acetic acid hexyl ester
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)acetamide
C19H30N2O4S (382.19261800000004)
Cyclohexyl-[4-(4-nitro-2-pyrrol-1-ylphenyl)piperazin-1-yl]methanone
(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
19(E)-18-demethoxygardneramine
C22H26N2O4 (382.18924760000004)
A natural product found in Gardneria ovata.
3,4,15-Trihydroxy-12,13-epoxytrichothec-9-en-8-yl 3-methylbutanoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-[[5-(Ethoxymethyl)-2-methyl-4-pyrimidinyl]amino]-1-(5-methoxy-1,2-dimethyl-3-indolyl)ethanone
N-(2-hydroxypropyl)-1-[(4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxamide
(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
(2R)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
C19H30N2O4S (382.19261800000004)
N-[[(2S,3R,4R)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide
[(8R,9S,10S)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10R)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C20H25F3N2O2 (382.18680259999996)
(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
C19H30N2O4S (382.19261800000004)
(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-10-(methylaminomethyl)-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-14-one
N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylcyclobutanecarboxamide
N-(cyclobutylmethyl)-4-fluoro-N-[[(2S,3S,4R)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-(cyclobutylmethyl)-4-fluoro-N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]benzamide
N-[[(2R,3S,4S)-1-(cyclopropylmethyl)-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-3-fluoro-N-methylbenzamide
2-cyclopropyl-N-[[(2S,3S,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
[(8R,9R,10S)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-9-[4-[(E)-prop-1-enyl]phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-3-phenyl-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-1-yl]methanone
C20H25F3N2O2 (382.18680259999996)
N-[2-(2-aminoethoxy)ethyl]-4-(2-hydroxy-4-phenylcyclohexyl)benzamide
(2-Acetamido-3-hydroxynonyl) 2-(trimethylazaniumyl)ethyl phosphate
C16H35N2O6P (382.22326200000003)
[3-Hydroxy-2-(propanoylamino)octyl] 2-(trimethylazaniumyl)ethyl phosphate
C16H35N2O6P (382.22326200000003)
2-(2-Ethoxyethyl)-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol benzoate
Pyrvinium
C26H28N3+ (382.22831080000003)
P - Antiparasitic products, insecticides and repellents > P02 - Anthelmintics > P02C - Antinematodal agents D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
(1R,4Z,6R,7S,17S)-4-ethylidene-7,17-dihydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
C19H28NO7+ (382.18656780000003)
(3R)-1,2-didehydro-3-hydroxy-16-methoxy-2,3-dihydrotabersonine
C22H26N2O4 (382.18924760000004)
A monoterpenoid indole alkaloid that is a reactive intermediate in the biosynthesis of vindoline by Catharanthus roseus.
1-Myristoyl-sn-glycerol 3-phosphate
C17H35O7P (382.21202900000003)
A 1-acyl-sn-glycerol 3-phosphate having myristoyl (tetradecanoyl) as the 1-O-acyl group.
t-2 triol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
7-[(6-hydroxy-5,5,8a-trimethyl-2-methylidene-decahydronaphthalen-1-yl)methoxy]-2H-chromen-2-one
1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside
beta-D-Glup3,6Me2-(1->4)-alpha-L-Rhap2,3-Me2
A disaccharide derivative consisting of 2,3-di-O-methyl-alpha-L-rhamnose having a 3,6-dimethyl-alpha-D-arabino-hexosyl residue attached at the 4-position.
lysophosphatidic acid 14:0
C17H35O7P (382.21202900000003)
A lysophosphatidic acid in which the acyl group (position not specified) contains 14 carbons and no double bonds.
Roxindole (hydrochloride)
C23H27ClN2O (382.18118020000003)
Roxindole hydrochloride (EMD 38362), an indot-alkyl-pipenidine, is a potent agonist at dopamine autoreceptors, with an affinity for the D2-like subtype in the low nanomolar range. Roxindole can be used for the research of positive and negative schizophrenic symptoms. Roxindole is a 5-HT1A agonist and 5-HT uptake inhibitor with high affinity for 5-HT1A (IC50=0.9 nM). Antipsychotic and antidepressant activities[1][2][3].