Exact Mass: 316.1746614
Exact Mass Matches: 316.1746614
Found 500 metabolites which its exact mass value is equals to given mass value 316.1746614,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Bupirimate
C13H24N4O3S (316.15690340000003)
CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9085; ORIGINAL_PRECURSOR_SCAN_NO 9084 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9035 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9048; ORIGINAL_PRECURSOR_SCAN_NO 9045 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9016; ORIGINAL_PRECURSOR_SCAN_NO 9014 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9062; ORIGINAL_PRECURSOR_SCAN_NO 9060 CONFIDENCE standard compound; INTERNAL_ID 355; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9072; ORIGINAL_PRECURSOR_SCAN_NO 9070 CONFIDENCE standard compound; INTERNAL_ID 8454 CONFIDENCE standard compound; INTERNAL_ID 2585
Timolol
C13H24N4O3S (316.15690340000003)
Timolol is only found in individuals that have used or taken this drug. It is a beta-adrenergic antagonist similar in action to propranolol. The levo-isomer is the more active. Timolol has been proposed as an antihypertensive, antiarrhythmic, antiangina, and antiglaucoma agent. It is also used in the treatment of migraine disorders and tremor. [PubChem]Like propranolol and nadolol, timolol competes with adrenergic neurotransmitters such as catecholamines for binding at beta(1)-adrenergic receptors in the heart and vascular smooth muscle and beta(2)-receptors in the bronchial and vascular smooth muscle. Beta(1)-receptor blockade results in a decrease in resting and exercise heart rate and cardiac output, a decrease in both systolic and diastolic blood pressure, and, possibly, a reduction in reflex orthostatic hypotension. Beta(2)-blockade results in an increase in peripheral vascular resistance. The exact mechanism whereby timolol reduces ocular pressure is still not known. The most likely action is by decreasing the secretion of aqueous humor. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Gibberellin A9
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi it differs from gibberellin A1 in the absence of OH groups at C-2 and C-7 (gibbane numberings).
3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
Bisphenol A bis(2-hydroxyethyl)ether
1-Dehydro-15alpha-hydroxytestololactone
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid, delta-lactone
Imipramine hydrochloride
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Capillartemisin B
Timolol
C13H24N4O3S (316.15690340000003)
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective S - Sensory organs > S01 - Ophthalmologicals > S01E - Antiglaucoma preparations and miotics > S01ED - Beta blocking agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3210 KEIO_ID T098; [MS2] KO009303 KEIO_ID T098; [MS3] KO009304 KEIO_ID T098
Perilloside C
Perilloside D is found in fats and oils. Perilloside D is a constituent of Perilla frutescens (perilla). Constituent of Perilla frutescens (perilla). Perilloside C is found in fats and oils.
(S)-alpha-Terpinyl glucoside
Constituent of Citrus species and wine grapes (Vitis vinifera). (R)-alpha-Terpinyl glucoside is found in alcoholic beverages, citrus, and fruits. (S)-alpha-Terpinyl glucoside is found in alcoholic beverages. (S)-alpha-Terpinyl glucoside is a constituent of wine grapes (Vitis vinifera)
10-Hydroxy-8-nor-2-fenchanone glucoside
10-Hydroxy-8-nor-2-fenchanone glucoside is found in herbs and spices. 10-Hydroxy-8-nor-2-fenchanone glucoside is a constituent of Foeniculum vulgare (fennel). Constituent of Foeniculum vulgare (fennel). 10-Hydroxy-8-nor-2-fenchanone glucoside is found in herbs and spices.
Neryl glucoside
Isolated from Rosa subspecies, rose geranium (Pelargonium graveolens) and grapes. Neryl glucoside is found in many foods, some of which are common grape, fruits, tea, and fats and oils. Neryl glucoside is found in fats and oils. Neryl glucoside is isolated from Rosa species, rose geranium (Pelargonium graveolens) and grape
Isopulegone caffeate
Isopulegone caffeate is found in fats and oils. Isopulegone caffeate is a constituent of Perilla frutescens var. crispa
D-Linalool 3-glucoside
D-Linalool 3-glucoside is found in herbs and spices. D-Linalool 3-glucoside is an aroma precursor of linalool from the flower buds of Arabian jasmine (Jasminum sambac Constituent of wine grape (Vitis vinifera). L-Linalool 3-glucoside is found in many foods, some of which are tea, common grape, fruits, and alcoholic beverages.
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is found in fruits. Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is a constituent of Passiflora quadrangularis (giant grandilla) Constituent of Passiflora quadrangularis (giant grandilla). Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate is found in fruits.
Menthol-glucoronide
Menthol-glucuronide is a metabolite of menthol in urine. Menthol is extensively metabolized such that excretion in the urine is predominantly menthol glucuronide. Urine menthol is a Biomarker of mentholated cigarette Smoking, as detected in methol cigarette smokers. (PMID: 20962297)
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
C18H24N2O3 (316.17868339999995)
6-Hydroxyazapropazone
C16H20N4O3 (316.15353300000004)
estradiol alone
Fluorocarazolol
C18H21FN2O2 (316.15869779999997)
Navoximod
C18H21FN2O2 (316.15869779999997)
Porphyrinogen
Gibberellin A9
Gibberellin a9 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a9 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a9 can be found in a number of food items such as black mulberry, saffron, pear, and winter squash, which makes gibberellin a9 a potential biomarker for the consumption of these food products.
Chaetopyranin
A chromenol that is 3,4-dihydro-2H-chromene substituted by a hydroxy group at position 6, a 3-hydroxybut-1-en-1-yl at position 2, a formyl group at position 5 and a prenyl group at position 7. Isolated from Chaetomium globosum, it exhibits radical scavenging and cytotoxic activity towards several tumour cell lines.
[1aR-(1aalpha,4beta,4abeta,5beta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5-yl ester 2-methyl-2-propenoic acid
Nagilactone F
A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).
6beta-(2-Methylacryloyloxy)-9-oxofuranoeremophilane
Eurotirumin
4-(3-Hydroxy-3-methylbutyl)-5-(2-phenylethyl)benzene-1,2,3-triol
6beta-Isobutyryloxy-9,10-didehydrofuranoeremophilan-1-one
Hannokinol
(3S,5S)-1,7-bis(4-hydroxyphenyl)heptane-3,5-diol is a natural product found in Alpinia blepharocalyx, Alpinia roxburghii, and Centrolobium sclerophyllum with data available.
Ethyl 2-[4-(aminocarbonyl)piperidino]-3-cyano-6-methylisonicotinate
C16H20N4O3 (316.15353300000004)
6-[(3E,5E,7S)-5,7-Dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methylbenzaldehyde
methyl-3-(3,3-dimethylallyl)-4-isobutyryloxy-cinnamate|methyl-3-<3,3-dimethylallyl>-4-isobutyryloxy-cinnamate
(6R)-6-[(1E,4R,6R)-4,5-dihydroxy-8-phenyloct-1-en-1-yl]-5,6-dihydro-2H-pyran-2-one|6R-(4R,6R-dihydroxy-8-phenyloct-1-enyl)-5,6-dihydro-2-pyrone|strictifolione
(1S,3R,5S,7S)-1,7-diphenylheptan-1,3,5,7-tetraol|diospongin C
7alpha,12beta-dihydroxy-1,4-androstadiene-3,17-dione
2,2-Dimethyl-5-methoxy-6-(3-methyl-2-butenyl)-8-acetyl-2H-1-benzopyran-7-ol
4-methoxy-3-(3-methyl-4-angelyoxy-but-2-en-1-yl)-acetophenone|4-methoxy-3-<3-methyl-4-angelyoxy-but-2-en-1-yl>-acetophenone
(E)-3-(2,2-dimethyl-3,4-dihydro-3-hydroxy-8-prenyl-2H-1-benzopyran-6-yl)-2-propenoic acid
13-acetyl-12-hydroxypodocarpa-9(11),8(14),12-trien-15-oic acid
julocrotine
C18H24N2O3 (316.17868339999995)
A natural product found in Julocroton montevidensis and Croton pullei var. glabrior.
11,12,16-Trihydroxy-20-nor-abieta-5(10),8,11,13-tetraen-1-one|15R-11,12,16-Trihydroxy-20-nor-5(10),8,11,13-abietatetraen-1-one
9alpha,11alpha,20-Trihydroxy-15-oxo-2,3,4,5-tetra-nor-prostansaeure
(3S,4E,6E,12E)-1-Isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-3,14-diol
(6S)-2-trans-6-alpha-L-arabinopyranosyloxy-2,6-dimethyl-2,7-octadienoic acid
(3S,5R)-3,5-dimethyl-3,5-peroxytetradecanedioic acid|epiplakinidioic acid
(4E,6E,12E)-3-Isovaleryloxy-tetradeca-4,6,12-triene-8,10-diyne-1,14-diol
6,13-diacetoxy-pentadeca-1,7t-diene-9,11-diyne|Di-Ac-(E)-8,14-Pentadecadiene-4,6-diyne-3,10-diol
2,3-Epoxide,1-Ac-(8E,15Z)-2,9,16-Heptadecatriene-4,6-diyne-1,11-diol
17-nor-15-oxo-8,11,13-abietatrien-7alpha-hydroxy-18-oic acid|abiesanordine K
(11)7,14-Ortholactone-3alpha-hydroxyfloridanolide|(11)7,14-Ortholactone-3??-hydroxyfloridanolide
Didemnidine A
C17H24N4O2 (316.18991639999996)
A natural product found in Didemnum species.
(3S)-1-(4-hydroxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-ol|4-[(5S)-5-hydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
6-(2-Methylpropanoyl)-(4beta,6beta)-4,15-Epoxyfuranoeremophil-1(10)-en-6-ol
(E)-6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxy-5-methoxyisobenzofuran-1(3H)-one|hericenone J
lettowipyraquinol|methyl [6-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-2H-chromen-8-yl]acetate
2-Methoxy-4-[2-(2-hydroxy-3-methoxy-5-propylphenyl)ethyl]phenol
thujylalcohol-(beta-D-glucopyranoside)|thujylalcohol-
(-)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol|(3R)-1-(3,4-dihedroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol|(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
3alpha-Hydroxycycloparvifloralone|3??-Hydroxycycloparvifloralone
(3R,3aR,5aR,6S)-3,6-dihydroxy-1-isopropyl-3a,5a-dimethyl-2,3,3a,4,5,5a,6,7-octahydrocyclohepta[e]indene-8-carbaldehyde|1,14-dihydroxycyatha-3,5(10),11-triene-12-carbaldehyde|cyrneine A
(3S)-hydroxylabda-8(17),11,13-trien-15(16)-olide|curcucomosin B
(S)-artemisia alcohol 4-O-beta-D-glucopyranoside|artemisioside
13-hydroxy-12-isopropyl-8,11,13-podocarpatrien-19-oic acid|inumakiol A
(E)-3-<2,3-dihydro-2-(1-hydroxy-1-methylethyl)-7-prenyl-benzofuran-5-yl>-2-propenoic acid
15,16-epoxy-labda-7,13(16),14-trien-17-oic acid|furolabd-7-en-17-oic acid
1-Angeloyl-(1alpha,7beta)-1-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid
5,8-Dihydroxy-14-serrulaten-18-al|5,8-dihydroxyserrulat-14-en-18-al
6beta-Senecioyloxy-furanoeremophilan|6beta-senecioyloxyfuranoeremophilane
6-<1-(Angeloyloxy)ethyl>-7-methoxy-2,2-dimethyl-2H-chromen|6-[1-(Angeloyloxy)ethyl]-7-methoxy-2,2-dimethyl-2H-chromen|Angeloyl-Encecalinol|encecalol angelate
ent-2,19-dihydroxybeyer-2,15-dien-1-one|ent-2,19-dihydroxybeyera-2,15-dien-1-one
(16R)-13,17-epoxy-16-hydroxy-ent-kaur-9(11)-en-19-al
cis-2-Methy-but-2-ensaeure-(3-desoxy-isopetas-13-ylester)|cis-2-Methy-but-2-ensaeure-<3-desoxy-isopetas-13-ylester>
15, 16-Epoxy-19-hydroxy-5, 13(16), 14-halimatrien-7-one|18-hydroxy-7-oxo-15,16-epoxyfriedolabda-5,13(16),14-trien
(4aS,10aR)-2,3,4,4a,10,10a-hexahydro-8-hydroxy-1-(hydroxymethyl)-7-isopropyl-1,4a-dimethylphenanthren-9(1H)-one|14,18-dihydroxyabieta-8,11,13-trien-7-one
(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 3-oxo-2-phenylbutanoate|(2Xi)-2-Phenyl-acetessigsaeure-((1R)-menthylester)|(Xi)-3-Oxo-2-phenyl-buttersaeure-((1R)-menthylester)|(Xi)-3-oxo-2-phenyl-butyric acid-((1R)-menthyl ester)
Solidago lactone V|solidagolactone V|solidagolactone-V
((1S)-Bornyl)-beta-D-glucopyranosid|((1S)-bornyl)-beta-D-glucopyranoside|(-)-borneol 2-O-beta-D-glucopyranoside|(1S,2R,4S)-borneol beta-D-glucopyranoside|borneol glucoside|Borneol-2-O-??-D-glucopyranoside|bornyl beta-D-glucopyranosyl|l-borneol O-beta-D-glucopyranoside
CP 80633
C18H24N2O3 (316.17868339999995)
2-((1R,2R)-2-Formyl-1,3,3-trimethylcyclohexyl)-4-hydroxy-5-isopropylbenzaldehyde
odorine
C18H24N2O3 (316.17868339999995)
Odorinol is a natural product found in Aglaia laxiflora, Aglaia elaeagnoidea, and Aglaia odorata with data available.
ent-11β-Hydroxyatis-16-ene-3,14-dione
Hardwickiicacid
(4aR,5R,6R,8aR)-5-[2-(furan-3-yl)ethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid is a natural product found in Laennecia coulteri, Microglossa pyrifolia, and other organisms with data available.
ent-11α-Hydroxyabieta-8(14),13(15)-dien-16,12α-olide
4-[4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol
(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one
C20H28O3_12-Oxopimara-9(11),15-dien-18-oic acid
C20H28O3_(8E)-14-Hydroxy-5,9,12,13-tetramethyl-16-methylene-4-oxatricyclo[10.3.1.0~3,5~]hexadeca-1(15),8-dien-2-one
C20H28O3_(5xi,9xi)-12-Oxoabieta-7,13-dien-18-oic acid
C20H28O3_1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-9-hydroxy-1,4a-dimethyl-7-(1-methylethyl)-, (1S,9R)
C19H24O4_Benzaldehyde, 6-[(3E,5E,7S)-5,7-dimethyl-2-oxo-3,5-nonadien-1-yl]-2,4-dihydroxy-3-methyl
C20H28O3_7-Hydroxyabieta-8,11,13-trien-18-oic acid
C19H24O4_11a-Hydroxy-4,4,9-trimethyl-9-vinyl-1,2,3,4,9,10,11,11a-octahydrodibenzo[c,e]oxepine-5,7-dione
Cafestol
Cafestol is an organic heteropentacyclic compound and furan diterpenoid with formula C20H28O3 obtained from the unsaponifiable fraction of coffee oil (a lipid fraction obtained from coffee beans by organic solvent extraction). It has a role as a plant metabolite, an apoptosis inducer, a hypoglycemic agent, an angiogenesis inhibitor, an antineoplastic agent, an antioxidant and an anti-inflammatory agent. It is an organic heteropentacyclic compound, a tertiary alcohol, a diterpenoid, a member of furans and a primary alcohol. Cafestol is a natural product found in Coffea arabica, Diplospora dubia, and other organisms with data available. An organic heteropentacyclic compound and furan diterpenoid with formula C20H28O3 obtained from the unsaponifiable fraction of coffee oil (a lipid fraction obtained from coffee beans by organic solvent extraction). Cafestol, one of the major components of coffee, is a coffee-specific diterpene from. Cafestol is a ERK inhibitor for AP-1-targeted activity against PGE2 production and the mRNA expression of cyclooxygenase (COX)-2 in LPS-activated RAW264.7 cells. Cafestol has strong inhibitory activity on PGE2 production by suppressing the NF-kB activation pathway. Cafestol contributes to its beneficial effects through various biological activities such as chemopreventive, antitumorigenic, hepatoprotective, antioxidative and antiinflammatory effects[1]. Cafestol, one of the major components of coffee, is a coffee-specific diterpene from. Cafestol is a ERK inhibitor for AP-1-targeted activity against PGE2 production and the mRNA expression of cyclooxygenase (COX)-2 in LPS-activated RAW264.7 cells. Cafestol has strong inhibitory activity on PGE2 production by suppressing the NF-kB activation pathway. Cafestol contributes to its beneficial effects through various biological activities such as chemopreventive, antitumorigenic, hepatoprotective, antioxidative and antiinflammatory effects[1]. Cafestol, one of the major components of coffee, is a coffee-specific diterpene from. Cafestol is a ERK inhibitor for AP-1-targeted activity against PGE2 production and the mRNA expression of cyclooxygenase (COX)-2 in LPS-activated RAW264.7 cells. Cafestol has strong inhibitory activity on PGE2 production by suppressing the NF-kB activation pathway. Cafestol contributes to its beneficial effects through various biological activities such as chemopreventive, antitumorigenic, hepatoprotective, antioxidative and antiinflammatory effects[1].
C20H28O3_(1R,2R,4aR,8aS)-1-[2-(3-Furyl)ethyl]-2,4a,5-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenecarboxylic acid
C20H28O3_2-Naphthalenecarboxylic acid, 1-[2-(3-furanyl)ethyl]-1,2,3,4,4a,7,8,8a-octahydro-1,4a,5-trimethyl-, (1R,2R,4aR,8aR)
C20H28O3_1-Naphthalenecarboxylic acid, 5-[2-(3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, (1S,4aS,5R)
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
9-hydroxy-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
7-ethenyl-1,4a,7-trimethyl-6-oxo-2,3,4,8,8a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
(1S,4aS,5R)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Sodium tetradecyl sulfate
C - Cardiovascular system > C05 - Vasoprotectives > C05B - Antivaricose therapy > C05BB - Sclerosing agents for local injection D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions D013501 - Surface-Active Agents D002317 - Cardiovascular Agents
Pinoxaden-TP NOA 407854
C18H24N2O3 (316.17868339999995)
CONFIDENCE standard compound; UCHEM_ID 4178
(1S,4aS,5R)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_53.4\\%
(1S,4aS,5R)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid_major
(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid_major
Bupirimate
C13H24N4O3S (316.15690340000003)
Ala Ala Gly Val
Ala Ala Val Gly
Ala Gly Ala Val
Ala Gly Gly Ile
Ala Gly Val Ala
Ala Val Ala Gly
Ala Val Gly Ala
Gly Ala Ala Val
Gly Ala Gly Ile
Gly Ala Val Ala
Gly Gly Ala Ile
Gly Gly Ile Ala
Gly Ile Gly Ala
Gly Val Ala Ala
Ergoline-1,8-dimethanol, 10-methoxy-6-methyl-, (8b)-
C18H24N2O3 (316.17868339999995)
Ile Gly Gly Ala
Val Ala Ala Gly
Val Ala Gly Ala
Val Gly Ala Ala
11,11,11,12,12-Pentafluoro-9Z-dodecenyl acetate
C14H21F5O2 (316.14616259999997)
(S)-alpha-Terpinyl glucoside
Phytocassane E
10-Hydroxy-8-nor-2-fenchanone glucoside
(4Z,9a)-9-(3-Methyl-2-butenoyloxy)-4,10(14)-oplopadien-3-one
(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one
Yucalexin B9
Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate
Furanojaponin
ent-17-Oxo-15-kauren-19-oic acid
FOH 16:3;O5
ascr#15
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,9R)-9-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#15
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-10-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
2-Methyl-2-propanyl 5-methyl-2-oxo-1,2-dihydro-1H-spiro[indole-3 ,4-piperidine]-1-carboxylate
C18H24N2O3 (316.17868339999995)
N-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)PYRROLIDINE-1-CARBOXAMIDE
C17H25BN2O3 (316.19581300000004)
benzyl 4-(4-oxopiperidin-1-yl)piperidine-1-carboxylate
C18H24N2O3 (316.17868339999995)
Methyl 1-(1-benzyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxylate
C18H24N2O3 (316.17868339999995)
piperazin-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
C17H25BN2O3 (316.19581300000004)
6-AMINO-3-PYRROLIDIN-1-YLMETHYL-INDAZOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C17H24N4O2 (316.18991639999996)
2-(TERT-BUTYL)-7-(4-METHYLPIPERAZIN-1-YL)-4-NITRO-1H-INDOLE
C17H24N4O2 (316.18991639999996)
amitriptyline-d3 hcl (n-methyl-d3)
C20H21ClD3N (316.17854893400005)
Amitriptyline-d3 hydrochloride is the deuterium labeled Amitriptyline (hydrochloride). Amitriptyline hydrochloride is an inhibitor of serotonin reuptake transporter (SERT) and noradrenaline reuptake transporter (NET), with Kis of 3.45 nM and 13.3 nM for human SERT and NET, respectively. Amitriptyline hydrochloride also weakly binds to dopamine reuptake transporter (DAT) with a Ki of 2.58 μM. Amitriptyline hydrochloride also inhibits adrenergic, muscarinic, histamine and 5-HT receptors. Amitriptyline hydrochloride is a TrkA and TrkB receptors agonist with potent neurotrophic activity. Amitriptyline hydrochloride has antidepressant activity[1][2][3].
4-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine-1-carbaldehyde
C17H25BN2O3 (316.19581300000004)
Sotradecol
D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions C78275 - Agent Affecting Blood or Body Fluid D013501 - Surface-Active Agents D002317 - Cardiovascular Agents
TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-2-CARBOXYLATE OXALATE
Azepino[4,5-b]indole-5-carboxylic acid, 8-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
C18H21FN2O2 (316.15869779999997)
Azepino[4,5-b]indole-5-carboxylic acid, 9-fluoro-1,2,3,6-tetrahydro-1,1-dimethyl-, 1-methylethyl ester
C18H21FN2O2 (316.15869779999997)
tert-butyl 4-(1-oxo-2,3-dihydroinden-5-yl)piperazine-1-carboxylate
C18H24N2O3 (316.17868339999995)
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
C18H24N2O3 (316.17868339999995)
2-O-benzyl 1-O-butyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
2-Methyl-2-propanyl 6-benzyl-5-oxo-1,6-diazaspiro[3.4]octane-1-ca rboxylate
C18H24N2O3 (316.17868339999995)
Ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-3-carboxylate
2-(Hydroxymethyl)-1,4-piperazinedicarboxylic acid 1,4-bis(tert-butyl) ester
3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-ethyl-1H-indole
ethyl prop-2-enoate,2-hydroxyethyl 2-methylprop-2-enoate,2-methylprop-2-enoic acid
Ethyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-pyrrolo[ 2,3-b]pyridine-2-carboxylate
2-amino-4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenol
C18H24N2O3 (316.17868339999995)
Pipequaline
C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Pipequaline (PK 8165) is a partial benzodiazepine receptor agonist with anxiolytic activity[1][2].
Prifelone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
tert-butyl 3-oxo-1-phenyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
C18H24N2O3 (316.17868339999995)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-methyl- (9CI)
tert-butyl 4-(2-methoxy-2-oxoethyl)-4-(nitromethyl)piperidine-1-carboxylate
Navoximod
C18H21FN2O2 (316.15869779999997)
C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent C308 - Immunotherapeutic Agent > C141144 - Immune Checkpoint Modulator C471 - Enzyme Inhibitor > C141137 - IDO1 Inhibitor C274 - Antineoplastic Agent
Ethyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
C18H25BO4 (316.18458000000004)
(E)-2-[2-(2,3-dihydroxypropoxy)-2-oxoethyl]-9-methyldec-4-enoic acid
3,9-Diazaspiro[5.5]undecane, 3-(phenylmethyl)-, hydrochloride (1:2)
1-N-BOC-4-CYANO-4-(2-METHOXYPHENYL)PIPERIDINE
C18H24N2O3 (316.17868339999995)
1-BOC-2-OXO-2,4-DIHYDRO-1H-SPIRO[PIPERIDINE-3,3-QUINOLINE]
C18H24N2O3 (316.17868339999995)
(4-((3,5-Dimethoxybenzyl)oxy)-3,5-dimethylphenyl)boronic acid
(1S,3S)-Methyl 1-isobutyl-7-Methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
C18H24N2O3 (316.17868339999995)
Amquinate
C18H24N2O3 (316.17868339999995)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
16-Hydroxy-19-oxo-4-androsten-3,17-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-alpha-(trans-4-hydroxycyclohexyl)-
C18H21FN2O2 (316.15869779999997)
Atizoram
C18H24N2O3 (316.17868339999995)
C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
(2E)-10-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoic acid
(2E,9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]dec-2-enoic acid
Ras/Rac Transformation Blocker, SCH 51344
C16H20N4O3 (316.15353300000004)
SCH 51344 inhibits Ras induced malignant transformation and prevents anchorage-independent growth of oncogene transformed fibroblasts[1].
8-(2,6-diethyl-4-methylphenyl)-9-hydroxy-1,2,4,5-tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepin-7-one
C18H24N2O3 (316.17868339999995)
2-ethyl-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
C18H24N2O3 (316.17868339999995)
11beta,13-Dihydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone
1-Butanoyl-N-(4-Carbamimidoylbenzyl)-L-Prolinamide
C17H24N4O2 (316.18991639999996)
(3z,5s,6r,7s,8s,8ar)-3-(Octylimino)hexahydro[1,3]oxazolo[3,4-A]pyridine-5,6,7,8-Tetrol
n-[1-Hydroxycarboxyethyl-carbonyl]leucylamino-2-methyl-butane
(3z,5s,6r,7s,8r,8ar)-3-(Octylimino)hexahydro[1,3]oxazolo[3,4-A]pyridine-5,6,7,8-Tetrol
4-[4-(4-Hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]pyrocatechol
6-methyl-4-oxo-N-propylspiro[3H-chromene-2,4-piperidine]-1-carboxamide
C18H24N2O3 (316.17868339999995)
N-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]-2-methylbutanamide
C18H24N2O3 (316.17868339999995)
2(1H)-Pyrimidinone,5-[3-[(1S,2S,4R)-bicyclo[2.2.1]hept-2-yloxy]-4-methoxyphenyl]tetrahydro-
C18H24N2O3 (316.17868339999995)
(S)-3-hydroxy-N-methylcoclaurinium(1+)
The conjugate acid of (S)-3-hydroxy-N-methylcoclaurine; major species at pH 7.3.
(1S)-7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(2S,3S,7R)-2,3-diamino-8-(2-amino-1-carbamoyl-4,5-dihydroimidazol-4-yl)-7-hydroxyoctanoic acid
3,17-dihydroxy-13-methyl-2-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1-carbaldehyde
[3-carboxy-2-[(E)-7-carboxyhept-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxyhept-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxyhept-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxyhept-2-enoyl]oxypropyl]-trimethylazanium
6-[(3E,5E,7S)-5,7-dimethyl-2-oxonona-3,5-dienyl]-2,4-dihydroxy-3-methylbenzaldehyde
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
A diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-(4-hydroxyphenyl)heptan-3-ol
A diarylheptanoid that is heptan-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
Tofranil
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018759 - Adrenergic Uptake Inhibitors D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents D049990 - Membrane Transport Modulators
Nororientalinium(1+)
The conjugate acid of nororientaline; major species at pH 7.3.
2-[[4-(2-Hydroxyethylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]phenol
2,2-Diphenylacetic acid (2,6-dimethylphenyl) ester
N-[4-(1-pyrrolidinyl)phenyl]-2-naphthalenecarboxamide
(+)-(8R,8R)-3,4,4-trihydroxy-3-methoxylignan
A natural product found in Machilus robusta.
1-[2-[Cyano-(4,6-dimethyl-2-pyrimidinyl)amino]-1-oxoethyl]-4-piperidinecarboxamide
2-[4-(2-hydroxyphenyl)-1-piperazinyl]-N-(5-methyl-3-isoxazolyl)acetamide
C16H20N4O3 (316.15353300000004)
N-[1,3-dimethyl-2-oxo-5-[[oxo(propoxy)methyl]amino]-4-imidazolidinyl]carbamic acid propyl ester
4-[Bis(4-amino-3-methylphenyl)methylidene]cyclohexa-2,5-dien-1-iminium
1-(3,4-Dihydroxybenzyl)-2,2-dimethyl-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinoline-2-ium
(5alpha,17S)-14-hydroxy-3-methoxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium
(5E)-4,7,8-trihydroxy-2-(2-hydroxypentyl)-9,9-dimethyl-3,4,7,8-tetrahydro-2H-oxecin-10-one
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
6-De(cyclopropylamino)-6-(3-methoxyazetidin-1-yl)abacavir
[(1R,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
[(1S,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
[(1R,2aS,8bS)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-(4-oxanyl)methanone
C18H24N2O3 (316.17868339999995)
O-suberoylcarnitine(1-)
A dicarboxylic acid monoanion that is the conjugate base of O-suberoylcarnitine; major spoecies at pH 7.3.
2-[(3S)-1-(1H-Indol-3-ylmethyl)-3-pyrrolidinyl]-1H-benzimidazole
[3-carboxy-1-[(E)-7-carboxyhept-2-enoyl]oxypropyl]-trimethylazanium
(3Z)-3-[(2E,6E,8E)-1-hydroxy-2,10-dimethyldodeca-2,6,8-trienylidene]-5-methylideneoxolane-2,4-dione
Cyclopentylmalonic acid bis(trimethylsilyl) ester
C14H28O4Si2 (316.15260480000006)
2-(4-Azido-1-oxobutyl)pyrrolidine-1-carboxylic acid benzyl ester
C16H20N4O3 (316.15353300000004)
S(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole
C13H24N4O3S (316.15690340000003)
2,3,4,5-tetranor-thromboxane B1
A monocarboxylic acid that is thromboxane B1 which is lacking four methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B2.
(S)-norreticuline(1+)
A secondary ammonium ion that is the conjugate acid of (S)-norreticuline, resulting from the protonation of the secondary amino group. The major species at pH 7.3.
aculene A(1+)
C19H26NO3 (316.19125859999997)
A secondary ammonium ion that is the conjugate acid of aculene A, arising from the protonation of the pyrrolidine nitrogen. Major species at pH 7.3.