Exact Mass: 328.1470944
Exact Mass Matches: 328.1470944
Found 500 metabolites which its exact mass value is equals to given mass value 328.1470944,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(all-E)-Crocetin
Crocetin is a 20-carbon dicarboxylic acid which is a diterpenoid and natural carotenoid. Found in the crocus flower, it has been administered as an anti-fatigue dietary supplement. It has a role as a nutraceutical, a metabolite and an antioxidant. It is a carotenoic acid, a diterpenoid and a polyunsaturated dicarboxylic acid. It is a conjugate acid of a crocetin(2-). Vitamin A-analog that increases diffusivity of oxygen in aqueous solutions, including plasma. Crocetin is a natural product found in Verbascum lychnitis, Gardenia jasminoides, and other organisms with data available. cis-Crocetin is found in herbs and spices. cis-Crocetin is occurs as glycoside in saffro COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Occurs as glycoside in saffron. cis-Crocetin is found in herbs and spices. D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Decursin
Decursin is a member of coumarins. Decursin is a natural product found in Scutellaria lateriflora, Angelica glauca, and other organisms with data available. See also: Angelica gigas root (part of). D020536 - Enzyme Activators Decursinol angelate is a natural product found in Angelica glauca and Angelica gigas with data available. See also: Angelica gigas root (part of). Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursin ((+)-Decursin) is a potent anti-tumor agent. Decursin also is a cytotoxic agent and a potent protein kinase C activator. Decursin induces apoptosis and cell cycle arrest at G1 phase. Decursin decreases the expression of CDK2, CDK4, CDK6, cyclin D1 protein at 48 h. Decursin inhibits cell proliferation and migration. Decursin shows anti-tumor, anti-inflammatory and analgesic activities[1][2][3][4]. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].
Methotrimeprazine
Methotrimeprazine is only found in individuals that have used or taken this drug. It is a phenothiazine with pharmacological activity similar to that of both chlorpromazine and promethazine. It has the histamine-antagonist properties of the antihistamines together with central nervous system effects resembling those of chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p604)Methotrimeprazines antipsychotic effect is largely due to its antagonism of dopamine receptors in the brain. In addition, its binding to 5HT2 receptors may also play a role. N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics KEIO_ID M099; [MS2] KO009123 KEIO_ID M099 Levomepromazine (Methotrimeprazine) is an orally available neuroleptic agent, which is commonly used to relieve nausea and vomiting in palliative care settings. Levomepromazine has antagonist actions at multiple neurotransmitter receptor sites, including dopaminergic, cholinergic, serotonin and histamine receptors[1].
Deltoin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Sobetirome
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent Same as: D09381
Carteolol hydrochloride
C16H25ClN2O3 (328.15536099999997)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013565 - Sympatholytics D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents Carteolol hydrochloride (OPC-1085 hydrochloride) is a non-selective beta blocker used to treat glaucoma.
(2S)-4-{[(1R)-1-Carboxy-2-(1H-imidazol-4-yl)ethyl]amino}-2-[(1-carboxyethyl)amino]butanoate
5-Geranyloxy-7-methoxycoumarin
5-Geranyloxy-7-methoxycoumarin is found in citrus. 5-Geranyloxy-7-methoxycoumarin is isolated from lime oil (Citrus aurantifolia). Isolated from lime oil (Citrus aurantifolia). 5-Geranyloxy-7-methoxycoumarin is found in lime, lemon, and citrus. 5-Geranyloxy-7-methoxycoumarin is a terpene lactone.
Tiapride
C15H24N2O4S (328.14567040000003)
Tiapride is a benzamide derivative with dopamine antagonist actions similar to sulpiride. It has been used as an antipsychotic and in the treatment of various movement disorders and alcoholism. D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist
Macelignan
Macelignan is found in herbs and spices. Macelignan is a constituent of Myristica fragrans (nutmeg) Constituent of Myristica fragrans (nutmeg). Macelignan is found in herbs and spices. Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3]. Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3].
Acutilobin
Acutilobin is found in green vegetables. Acutilobin is a constituent of Angelica acutiloba (Dong Dang Gui). Constituent of Angelica acutiloba (Dong Dang Gui). Acutilobin is found in green vegetables. Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].
5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone
5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone is isolated from Alpinia officinarum (lesser galangal
8-Methoxygravelliferone
8-Methoxygravelliferone is found in herbs and spices. 8-Methoxygravelliferone is a constituent of Ruta graveolens (rue)
Phenylalanyltyrosine
C18H20N2O4 (328.14230000000003)
Phenylalanyltyrosine is a dipeptide composed of phenylalanine and tyrosine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Guaiacin
Guaiacin is found in herbs and spices. Guaiacin is a constituent of Myristica fragrans (nutmeg). Constituent of Myristica fragrans (nutmeg). Guaiacin is found in ucuhuba and herbs and spices. Guaiacin is a arylnaphthalene type lignin isolated from the barks of Machilus thunbergii SIEB. et ZUCC (Lauraceae). Guaiacin significantly increases alkaline phosphatase activity and osteoblast differentiation[1].
Sclareapinone
Sclareapinone is found in alcoholic beverages. Sclareapinone is a constituent of Salvia sclarea (clary sage)
4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione
4,4-Dihydroxy-5,5-diisopropyl-2,2-dimethyl-3,6-biphenyldione is found in herbs and spices. 4,4-Dihydroxy-5,5-diisopropyl-2,2-dimethyl-3,6-biphenyldione is a constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. Constituent of the leaves of thyme Thymus vulgaris. Shows antioxidant activity. 4,4-Dihydroxy-5,5-diisopropyl-2,2-dimethyl-3,6-biphenyldione is found in herbs and spices.
Verimol H
Verimol H is found in fruits. Verimol H is a constituent of Illicium verum (Chinese star anise). Constituent of Illicium verum (Chinese star anise). Verimol H is found in fruits.
Sagequinone methide A
Constituent of Salvia officinalis (sage). Sagequinone methide A is found in tea, herbs and spices, and common sage. Sagequinone methide A is found in common sage. Sagequinone methide A is a constituent of Salvia officinalis (sage)
Perilloside B
Perilloside B is found in herbs and spices. Perilloside B is a constituent of perilla (Perilla frutescens). Constituent of perilla (Perilla frutescens). Perilloside B is found in herbs and spices.
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside is a constituent of fruit of Carum ajowan (ajowan). Constituent of fruit of Carum ajowan (ajowan)
Cymorcin monoglucoside
Cymorcin monoglucoside is a constituent of the seeds of Carum copticum (ajowan) Constituent of the seeds of Carum copticum (ajowan).
Tyrosyl-Phenylalanine
C18H20N2O4 (328.14230000000003)
Tyrosyl-Phenylalanine is a dipeptide composed of tyrosine and phenylalanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Litcubine
C19H22NO4+ (328.15487520000005)
Litcubine is found in fruits. Litcubine is an alkaloid from the roots of Litsea cubeba (mountain pepper
Dictyoquinazol B
C18H20N2O4 (328.14230000000003)
Dictyoquinazol B is found in mushrooms. Dictyoquinazol B is an alkaloid from Dictyophora indusiata. Alkaloid from Dictyophora indusiata. Dictyoquinazol B is found in mushrooms.
7-hydroxyolanzapine
7-hydroxyolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
2-hydroxymethylolanzapine
2-hydroxymethylolanzapine is a metabolite of olanzapine. Olanzapine (trade name Zyprexa or in combination with fluoxetine Symbyax) is an atypical antipsychotic, approved by the FDA for the treatment of schizophrenia and bipolar disorder. Olanzapine is structurally similar to clozapine, but is classified as a thienobenzodiazepine. The olanzapine formulations are manufactured and marketed by the pharmaceutical company Eli Lilly and Company; the drug went generic in 2011. Sales of Zyprexa in 2008 were $2.2B in the US alone, and $4.7B in total. (Wikipedia)
1-[10-[3-(Dimethylamino)propyl]phenothiazin-2-yl]ethanol
Columbianadin
Decursin
Decursinol angelate
Eplivanserin
C19H21FN2O2 (328.15869779999997)
Bis(3-methoxysalicylidene)ethylenediamine
C18H20N2O4 (328.14230000000003)
GUAIANOLIDE
Levopromazine
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
6-[(1R,2R,3S,5S)-2-[(Z)-4-Carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
Phe-Tyr
C18H20N2O4 (328.14230000000003)
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
C18H20N2O4 (328.14230000000003)
(2S)-2-Amino-3-[3-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
C18H20N2O4 (328.14230000000003)
Zosimin
Zosimin is a member of the class of compounds known as angular furanocoumarins. Angular furanocoumarins are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Zosimin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Zosimin can be found in carrot and wild carrot, which makes zosimin a potential biomarker for the consumption of these food products. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects.
MethylophiopogonanoneB
Methylophiopogonanone B is a natural product found in Ophiopogon japonicus and Polygonatum odoratum with data available. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2].
Isopropylidenylacetyl-marmesin
Isopropylidenylacetyl-marmesin is a member of psoralens.
Zosimin
Columbianadin is an alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. It has a role as an anti-inflammatory agent, an apoptosis inducer, a hepatoprotective agent, an antineoplastic agent, a rat metabolite and a plant metabolite. It is a furanocoumarin and an alpha,beta-unsaturated carboxylic ester. It is functionally related to an angelic acid. Columbianadin is a natural product found in Heracleum candolleanum, Peucedanum palustre, and other organisms with data available. An alpha,beta-unsaturated carboxylic ester obtained by formal condensation of the carboxy group of angelic acid with the hydroxy group of 2-[(8S)-2-oxo-8,9-dihydro-2H-furo[2,3-h][1]benzopyran-8-yl]propan-2-ol. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects. Columbianadin, a natural coumarin from Heracleum hemsleyanum, is known to have various biological activities including anti-inflammatory and anti-cancer effects.
Macelignan
4-[(2S,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol is a lignan. Macelignan is an NSAID with antioxidant, free radical scavenging, and neuroprotective activities. Macelignan is a natural product found in Saururus cernuus, Schisandra sphenanthera, and other organisms with data available. Macelignan is a lignan isolated from nutmeg with antimicrobial and anticariogenic activity against Streptococcus mutans and other streptococcus species. C254 - Anti-Infective Agent > C52588 - Antibacterial Agent Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3]. Macelignan ((+)-Anwulignan; Anwuligan)?is an orally active lignan isolated from Myristica fragrans. Macelignan possesses many pharmacological activities, including anti-inflammatory, anti-cancer, anti-diabetes, and neuroprotective activities[1][2][3].
Guaiacin
(+)-guaiacin is a lignan. It has a role as a metabolite. Guaiacin is a natural product found in Magnolia kachirachirai, Saururus cernuus, and other organisms with data available. A natural product found in Machilus robusta. Guaiacin is a arylnaphthalene type lignin isolated from the barks of Machilus thunbergii SIEB. et ZUCC (Lauraceae). Guaiacin significantly increases alkaline phosphatase activity and osteoblast differentiation[1].
Hirsutenone
(4E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one is a diarylheptanoid. Hirsutenone is a natural product found in Viscum cruciatum, Meistera muricarpa, and other organisms with data available.
Methylophiopogonanone B
Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2]. Methylophiopogonanone B, homoisoflavonoid, is extracted from the root of Ophiopogon japonicas, shows high antioxidant ability[1]. Methylophiopogonanone B increases GTP-Rho and acts via the Rho signaling pathway, inducing cell morphological change via actin cytoskeletal reorganization, including dendrite retraction and stress fiber formation[2].
[3aS-(3aalpha,5alpha,6aalpha,9aalpha,9bbeta)]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 3-methyl-2-butenoic acid
7-Geranyloxy-6-methoxycoumarin
7-Geranyloxy-6-methoxycoumarin is a natural product found in Atalantia monophylla, Murraya siamensis, and other organisms with data available.
[3aS-[3aalpha,5alpha(Z),6aalpha,9aalpha,9bbeta]]-Dodecahydro-3,6,9-tris(methylene)-2-oxoazuleno[4,5-b]furan-5-yl ester 2-methyl-2-butenoic acid
6beta-Angeloyloxy-9,10-didehydrofuranoeremophilan-1-one
5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]ethanol
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
11,14-dihydroxy-12,16-epoxyabieta-5,8,11,13-tetraen-7-one
Levatin
1-deoxycarinatone|2-[(1S)-2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-6-methoxy-4-(prop-2-enyl)phenol
15,16-epoxy-12-oxo-8(17),13(16),14-ent-labdatrien-20,19-olide
(+/-)-4,6-dimethoxy-3-(4-methoxybenzyl)-3-methylbenzo[b]furan-2(3H)-one
7-{[(2R*)-3,3-dimethyloxiran-2-yl]methoxy}-8-[(2R*,3R*)-3-iso-propenyloxiran-2-yl]-2H-chromen-2-one
(3R)-5,7-dihydroxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
(3R)-3,4-epoxy-1-(4-hydroxyphenyl)-7-(3-methoxyphenyl) heptan-3-ol|Diarylheptanoid CPB-51-262-2
8-hydroxycuminyl beta-D-glucopyranoside|8-Hydroxycuminyl ??-D-glucopyranoside
(1S,2R,5S,6R)-2-(4-hydroxyphenyl)-6-(3-methoxy-4-hydroxyphenyl)-3,7-dioxabicyclo[3.3.0]octane
2beta-angeloyloxy-1,2,5,6-tetrahydrochromolaenin-8-one
3,4,18beta-cyclopropa-7beta-hydroxy-14-oxo-ent-abieta-8,9,13,15-dien-16,12-olide|retusolide D
5-(3-hydroxypropyl)-2-(2,3-dimethoxy-4-hydroxyphenyl)benzofuran
9alpha-9-Hydroxy-1,8(14)15-isopimaratriene-3,7,11-trione
(ent-6alpha,7alpha,8alpha,12alphaH)7,12:15,16-Diepoxy-3,13(16),14-clerodatrien-18,6-olide
3-(beta-D-Glucopyranosyloxymethyl)-2,4,4-trimethyl-2,5-cyclohexadien-1-one
1,1,5-trimethyl-2-hydroxymethyl-(2,5)-cyclohexadien-(4)-one-O-beta-D-glucopyranoside|1,1,5-trimethyl-2-hydroxymethyl-2,5-cyclohexadien-4-one-O-beta-D-glucopyranoside
Teucvidin
Teucvidin is a natural product found in Teucrium botrys, Teucrium kotschyanum, and other organisms with data available.
7-hydroxy-15,16-epoxy-17-al-7,11,13(16)-labdatetraene-6-one|7-hydroxyhydichinal
(2R,3R)-1-phenyl-2,3-butanediol 2-O-beta-D-glucopyranoside|everlastoside I
(2S)-4,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)flavan|brosimacutin L
(4betaH)-8alpha-(2-methylpropenoyloxy)-2-oxo-1(5),10(14),1(13)-guaiatrien-12,6alpha-olide
3-Methoxy-4-[(2S,3R)-3-methyl-7-(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenediol|3-methoxy-4-[(2S,3R)-3-methyl]-7-[(E)-1-propenyl-2,3-dihydro-1,4-benzodioxin-2-yl]-1,2-benzenodiol
6beta-angeloyloxyfuranoeremophil-1(10)-en-2-one|virgaurenone A
(+)-(5S,6S,7S,8R,10R)-6-hydroxy-7,8-epoxy-12-oxo-abieta-9(11),13-dien-20-oic acid 6,20-lactone
An abietane diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
(+)-(5S,6S,10R)-12-hydroxy-7-oxo-abieta-8,11,13-trien-20-oic acid 6,20-lactone
Kadsurenin M
A neolignan that is 2,3-dihydro-1-benzofuran carrying 3,4-dimethoxyphenyl, methyl, formyl and methoxy substituents at positions 2, 3, 5 and 7 respectively.
1-phenyl-3-(2,3,4,6-tetramethoxyphenyl)prop-2-en-1-one
3,6-Bis(1H-indole-3-yl)-1,2,5,6-tetrahydropyrazine-2-one
2-[(8S)-2-oxo-8,9-dihydrofuro[2,3-h]chromen-8-yl]propan-2-yl (Z)-2-methylbut-2-enoate
5-(1,5-dimethyl-3,4,8-trihydroxy-6-methoxy-7-oxabicyclo-[3,2,1]-oct-8-yl)-3-methyl-2,4pentadienoic acid
5,7-dihydroxy-2-[14-methoxy-15-propylphenyl]-4H-chromen-4-one|leucasin
5-Hydroxy-7-methoxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-
2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-4-hydroxyphenyl ester
(10S)-11,12-dihydroxy-6-methoxy-15,16-dinorpimara-1,5,8,11,13-pentaene-3,7-dione|11,12-dihydroxy-6-methoxy-15,16-dinor-ent-pimara-1,5,8,11,13-pentaene-3,7-dione|dryperrein C
5-(erythro-1,2-dihydroxypropyl)-2-(4-hydroxy-3-methoxyhenyl)-3-methylbenzofuran
beta-D-glucopyranosyl 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylate|jasminoside J
(8R)-9-hydroxycuminyl beta-D-glucopyranoside|(8R)-9-Hydroxycuminyl ??-D-glucopyranoside
2-O-beta-D-Galactopyranosyl-L-rhamnitol
C12H24O10 (328.13694039999996)
8beta-methacryloyloxyguaia-3,10(14),11(13)-trien-2-one-6alpha,12-olide
11H-Dibenzo[b,e][1,4]dioxepin-11-one, 3,8-dihydroxy-1,9-dimethyl-6-(1-methylpropyl)-
4-hydroxy-6-(hydroxy(phenyl)methyl)-N-(3-methylbutyryl)nicotinamide
C18H20N2O4 (328.14230000000003)
homocyclolongipesin 9-O-propionate|O-Propanoyl-Homocyclolongipesin
(2S,3S)-1-phenyl-2,3-butanediol 3-O-beta-D-glucopyranoside|(2S,3S)-1-Phenyl-2,3-butanediol 3-O-??-D-glucopyranoside
8beta-methacryloyloxyguaia-1(10),3,11(13)-trien-2-on-6alpha,12-olide
1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B
C18H20N2O4 (328.14230000000003)
tiapride
C15H24N2O4S (328.14567040000003)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AL - Benzamides C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist CONFIDENCE standard compound; INTERNAL_ID 2278 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3028
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl (Z)-2-methylbut-2-enoate
2-hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl]butanedioic acid
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate
(E)-1,7-bis(3,4-dihydroxyphenyl)hept-4-en-3-one
CPP_329.1415_17.9
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 302
10phiC10SPC (STANDARD)
Auto-extracted from 131001_neg_02.mzML; CONFIDENCE Reference Standard (Level 1); Kindly provided by Jennifer Field, Oregon State University; Synthesis according to P.W. Taylor and G. Nickless, J. Chromotography, 178 (1979) 259-269.
SPA-10C (SAMPLE)
Auto-extracted from 131001_neg_03.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside
C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl
C16H24O7_beta-D-Glucopyranoside, 4-hydroxy-2-methyl-5-(1-methylethyl)phenyl
2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl 3-methylbut-2-enoate
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
Levomepromazine
N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AA - Phenothiazines with aliphatic side-chain D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics Levomepromazine (Methotrimeprazine) is an orally available neuroleptic agent, which is commonly used to relieve nausea and vomiting in palliative care settings. Levomepromazine has antagonist actions at multiple neurotransmitter receptor sites, including dopaminergic, cholinergic, serotonin and histamine receptors[1].
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based on: CCMSLIB00000845038]
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based on: CCMSLIB00000846617]
6a,7,8-trihydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione [IIN-based: Match]
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (Z)-2-methylbut-2-enoate [IIN-based: Match]
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxy-2-methyl-5-propan-2-ylphenoxy)oxane-3,4,5-triol_major
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol_major
9,15-dioxo-11R-hydroxy-2,3,4,5-tetranor-prostan-1,20-dioic acid
Phe-Tyr
C18H20N2O4 (328.14230000000003)
A dipeptide formed from L-phenylalanine and L-tyrosine residues.
Tyr-Phe
C18H20N2O4 (328.14230000000003)
A dipeptide formed from L-tyrosine and L-phenylalanine residues.
Cymorcin monoglucoside
Litcubine
C19H22NO4 (328.15487520000005)
3-Hydroxy-4-isopropylbenzyl alcohol 3-glucoside
DICTYOQUINAZOL B
C18H20N2O4 (328.14230000000003)
Perilloside B
Acutilobin
Decursinol angelate, a cytotoxic and protein kinase C (PKC) activating agent from the root of Angelica gigas, possesses anti-tumor and anti-inflammatory activities[1][2].
Phencarbamide
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
3-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL
tert-Butyl 5-methyl-3-((trimethylsilyl)ethynyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
C18H24N2O2Si (328.16069639999995)
(2R,3R)-N1,N4-Dibenzyl-2,3-dihydroxysuccinamide
C18H20N2O4 (328.14230000000003)
(S)-3-(benzylamino)-2-(benzyloxycarbonylamino)propanoic acid
C18H20N2O4 (328.14230000000003)
4-(2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-ol
(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile
METHYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-THREO-PENTOFURANOSIDE
4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium tetrafluoroborate
4-(4-aminobenzoyl)oxybutyl 4-aminobenzoate
C18H20N2O4 (328.14230000000003)
N-[(1R)-2-Amino-1-(4-methoxyphenyl)-2-oxoethyl]-4-methoxybenzeneacetamide
C18H20N2O4 (328.14230000000003)
Imazaquin ammonium
C17H20N4O3 (328.15353300000004)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(2S,3S)-N,N-dibenzyl-2,3-dihydroxybutanediamide
C18H20N2O4 (328.14230000000003)
n,n-diethyl-4-[(2-methoxy-4-nitro)phenylazo]aniline
C17H20N4O3 (328.15353300000004)
Eplivanserin
C19H21FN2O2 (328.15869779999997)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist D006401 - Hematologic Agents > D005343 - Fibrinolytic Agents D050299 - Fibrin Modulating Agents D002317 - Cardiovascular Agents
[4-(4-fluoro-phenyl)-piperazin-1-yl]-p-tolyl-acetic acid
C19H21FN2O2 (328.15869779999997)
tert-butyl N-[2-[5-(trifluoromethyl)-1H-indol-3-yl]ethyl]carbamate
C16H19F3N2O2 (328.13985499999995)
2-(3-hydroxypropyl)-6-[(3-hydroxypropyl)amino]-1H-benz[de]isoquinoline-1,3(2H)-dione
C18H20N2O4 (328.14230000000003)
(8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl) (E)-2-methylbut-2-enoate
(2R)-3-Carboxy-N,N,N-trimethyl-2-(propionyloxy)-1-propanaminium chloride - glycine (1:1:1)
2,3:4,5-Bis-O-(1-methylethylidene)-beta-D-fructopyranose 1-(2-methyl-2-propenoate)
diethyl 4,4-diaMino-[1,1-biphenyl]-2,2-dicarboxylate
C18H20N2O4 (328.14230000000003)
2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C16H23BClFO3 (328.14127199999996)
6-[[(1,1-Dimethylethoxy)carbonyl]amino]hexanoic acid 2,5-dioxo-1-pyrrolidinyl ester
Methyl 2-(4-Benzylpiperazino)-5-fluorobenzoate
C19H21FN2O2 (328.15869779999997)
7-amino-N-cyclohexyl-1-methyl-2-thiazolo[3,2-a]benzimidazolecarboxamide
N-(4-chlorophenyl)-2-phenyl-N-piperidin-4-ylacetamide
N,N-bis(2-hydroxy-3-Methoxy-benzylidene)ethylenediaMine
C18H20N2O4 (328.14230000000003)
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
N-[2-[2-(2-acetamidophenoxy)ethoxy]phenyl]acetamide
C18H20N2O4 (328.14230000000003)
N-cyclohexyl-2-[[6-(2-pyridinyl)-3-pyridazinyl]thio]acetamide
2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine
4-[(3r)-3-{[2-(4-Fluorophenyl)-2-Oxoethyl]amino}butyl]benzamide
C19H21FN2O2 (328.15869779999997)
(2S)-4-(2,5-Difluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid
C18H20N2O4 (328.14230000000003)
2-Amino-3-[4-Hydroxy-6-Oxo-3-(2-Phenyl-Cyclopropylimino)-Cyclohexa-1,4-Dienyl]-Propionic Acid
C18H20N2O4 (328.14230000000003)
4-(4-chlorophenyl)-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
1-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethan-1-one
N-methyl-N-phenyl-4-pyrimidin-5-yl-1H-indole-2-carboxamide
Salutaridinium(1+)
C19H22NO4+ (328.15487520000005)
The conjugate acid of salutaridine; major species at pH 7.3.
(6aS)-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium-1,11-diol
C19H22NO4+ (328.15487520000005)
3-[(2S,4S)-2,4-dimethylhexanoyl]-5-(4-hydroxyphenyl)-2-oxo-1H-pyridin-4-olate
C19H22NO4- (328.15487520000005)
(2S)-2-(1-carboxyethylamino)-4-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]butanoic acid
4-[(6aR)-3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl]benzoic acid
8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-2-methylbut-2-enoate
2-Methyl-2-butenoic acid 1-methyl-1-(2-oxo-8,9-dihydro-2H-furo[2,3-h]-1-benzopyran-8-yl)ethyl ester
(2S)-2-Amino-3-[4-[(2S)-2-amino-3-phenylpropanoyl]oxyphenyl]propanoic acid
C18H20N2O4 (328.14230000000003)
7-[2-(3-carboxypropyl)-3-oxocyclopentyl]-7-hydroxy-5-oxoheptanoic acid
2-[(2-Acetyloxy-3-ethoxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
6-[2-[(E)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester
C18H20N2O4 (328.14230000000003)
Naloxone(1+)
C19H22NO4+ (328.15487520000005)
An ammonium ion resulting from the protonation of the nitrogen of naloxone.
4-[[[(2-Methoxyphenyl)methylamino]-oxomethyl]amino]benzoic acid ethyl ester
C18H20N2O4 (328.14230000000003)
3,4,5-trihydroxy-2-(2-phenylhydrazono)pentanal N-phenylhydrazone
C17H20N4O3 (328.15353300000004)
1,2-dideoxy-1-{2,6-dioxo-5-[(1E)-3-oxobut-1-en-1-yl]-1,2,3,6-tetrahydropyrimidin-4-yl}-D-ribo-hexitol
5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone
[4-(2-Methylphenyl)-1-piperazinyl]-(5-propyl-3-thiophenyl)methanone
[(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h]chromen-9-yl] (E)-2-methylbut-2-enoate
2-Butyl-3-[(3-chlorophenyl)methyl]-5-methyl-6-imidazo[4,5-b]pyridinamine
6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
1,9,10-Trihydroxy-2-methoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium
C19H22NO4+ (328.15487520000005)
2-[[[2-(2-Methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester
C18H20N2O4 (328.14230000000003)
(1S)-2-(1H-indol-3-yl)-1-[5-(3-methylbut-2-enylthio)-1,3,4-oxadiazol-2-yl]ethanamine
N-tert-butyl-2-hydroxy-3-[(2-oxo-1,2,3,4-tetrahydroquinolin-5-yl)oxy]propan-1-aminium chloride
C16H25ClN2O3 (328.15536099999997)
N-[(2S,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
[(1R,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2S,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
N-[(2S,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
N-[(2S,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
[(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
N-[(2R,3S,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
N-[(2R,3R,6R)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
N-[(2R,3S,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-1-phenylmethanesulfonamide
C15H24N2O4S (328.14567040000003)
[(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
[(1R,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
2-Methylpropenoic acid (3aR)-2,3,3abeta,4,5,6,6abeta,7,9abeta,9balpha-decahydro-3,6-dimethylene-9-methyl-2,7-dioxoazuleno[4,5-b]furan-4alpha-yl ester
(-)-Demethoxylpinoresinol
A lignane that is the demethoxy derivative of (-)-pinoresinol. Isolated from Balanophora abbreviata, it exhibits inhibitory activity against nitric oxide synthase.
WURCS=2.0/2,2,1/[h1122h][a1221m-1a_1-5]/1-2/a4-b1
C12H24O10 (328.13694039999996)
2-O-(alpha-L-fucopyranosyl)-D-mannitol
C12H24O10 (328.13694039999996)
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-4-hydroxy-3-methylbut-1-enyl]benzene-1,3-diol
2-O-(6-alpha-L-fucopyranosyl)-D-glucitol
C12H24O10 (328.13694039999996)
6-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-3-(3-methylbut-2-enyl)benzene-1,2,4-triol
2-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]benzene-1,3,5-triol
[O-(1-O-Ethyl-2-O-acetyl-L-glycero-3-phospho)choline]anion
2-[[(2R)-3-butanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[(2R)-2-butanoyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
8,8-Dimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano(2,3-F)chromen-9-YL 2-ME-2-butenoate
2-Isopropyl-5-(hydroxymethyl)phenyl beta-D-glucopyranoside
2-Hydroxy-2-[2-oxo-2-[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)oxy]ethyl] butanedioic acid
Dimethyl 4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate
Dimethyl (3R*,5S*,6R*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl (3R*,5S*,6S*)-3-phenyl-2,3,4,5,6,7-hexahydroinden-1(H)-one-5,6-dicarboxylate
Dimethyl trans-4-((E)-cinnamoyl)-4-cyclohexene-1,2-dicarboxylate
2-Amino-3-cyano-4,8-bis(methoxymethyl)azulene-1-carboxylic acid ethyl ester
C18H20N2O4 (328.14230000000003)
1-(4-Methoxyphenyl)-1,3-bis(methylthio)-4-(trimethylsilyl)butane
8,13-Dioxo-5,6,7,8,13,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
9,12-Dioxo-5,6,7,9,12,14,15,16-octahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
2-[(3-Butanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
reticulinylium
C19H22NO4+ (328.15487520000005)
A benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline.
(2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl) (Z)-2-methylbut-2-enoate
alpha-L-Fucp-(1->2)-D-Man-OH
C12H24O10 (328.13694039999996)
An alpha-L-fucoside resulting from the formal condensation of the hydroxy group at position 2 of D-mannitol with alpha-L-fucose.
prostaglandin E2-UM
A prostanoid that is prostaglandin E2 in which the acyclic hydroxy group has been oxidised to the corresponding ketone, the methyl group has been oxidised to the corresponding carboxylic acid and the 6-carboxyhexenyl group has been oxidatively cleaved to a 2-carboxyethyl group. It is the major urinary metabolite of prostaglandin E2.
alpha-L-Fucp-(1->3)-D-mannitol
C12H24O10 (328.13694039999996)
A disaccharide that is D-mannitol in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-fucoside.
IOX4
IOX4 is a selective HIF prolyl-hydroxylase 2 (PHD2) inhibitor with an IC50 value of 1.6 nM, induces HIFα in cells and in wildtype mice with marked induction in the brain tissue. IOX4 competes with and displaces 2-oxoglutarate (2OG) at the active site of PHD2[1].
(2e,4e)-3-methyl-5-[(1s,2s,3r,5r,7r,8s)-2,3,8-trihydroxy-7-methoxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]penta-2,4-dienoic acid
(8r)-8-[(3s)-3-hydroperoxy-4-methylpent-4-en-1-yl]-8-methylpyrano[2,3-f]chromen-2-one
(2s,3r,3ar,7ar)-2-(2h-1,3-benzodioxol-5-yl)-7a-hydroxy-3-methyl-3a-(prop-2-en-1-yl)-3,4-dihydro-2h-1-benzofuran-7-one
6-[(4-hydroxyphenyl)methyl]-4,4-dimethyl-3,5,8-trioxatricyclo[7.4.0.0²,⁶]trideca-1(13),9,11-trien-11-ol
(9s)-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 3-methylbut-2-enoate
(2r,6ar,10s,10as,10bs)-2-(furan-3-yl)-10-hydroxy-6a,10b-dimethyl-1h,2h,6h,10h,10ah-naphtho[2,1-c]pyran-4,7-dione
2-(2-hydroxy-5-isopropyl-4-methylphenoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(7s,12ar)-2,9-dihydroxy-3,10-dimethoxy-7-methyl-5h,6h,12h,12ah-indolo[2,1-a]isoquinolin-7-ium
[C19H22NO4]+ (328.15487520000005)