Exact Mass: 328.1297248
Exact Mass Matches: 328.1297248
Found 500 metabolites which its exact mass value is equals to given mass value 328.1297248,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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].
Peonoside
Paeonoside is a glycoside. Paeonoside is a natural product found in Spiranthes sinensis, Spiranthes vernalis, and other organisms with data available.
Deltoin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
7-Hydroxy-6-methyl-8-ribityl lumazine
7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine. [HMDB] 7-Hydroxy-6-methyl-8-ribityl lumazine is an intermediate in Riboflavin metabolism. it is converted from 6,7-Dimethyl-8-(1-D-ribityl)lumazine.
Anisatin
ANIASATIN, also known as shikimin, is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. ANIASATIN is soluble (in water) and a very weakly acidic compound (based on its pKa). Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
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
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
Dihydromelilotoside
Dihydromelilotoside is found in herbs and spices. Dihydromelilotoside is isolated from Chinese cinnamon. Isolated from Chinese cinnamon. Dihydromelilotoside is found in herbs and spices.
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].
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.
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.
Ethylvanillin glucoside
Ethylvanillin glucoside is a flavouring ingredient with vanilla aroma. Flavouring ingredient with vanilla aroma
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)
3,4-Dichloro-n-{[1-(dimethylamino)cyclohexyl]methyl}benzamide
Columbianadin
Decursin
Decursinol angelate
Eplivanserin
C19H21FN2O2 (328.15869779999997)
Bis(3-methoxysalicylidene)ethylenediamine
C18H20N2O4 (328.14230000000003)
GUAIANOLIDE
n-(3,4-Dichlorophenyl)-n-[(1r,2s)-2-(dimethylamino)cyclopentyl]propanamide
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)
Tubulin Polymerization Inhibitor
(3-(Tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
C15H21ClN2O2S (328.10121960000004)
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.
Androsin
Androsin is a natural product found in Justicia adhatoda, Penstemon pinifolius, and other organisms with data available. Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects[1]. Androsin is an active compound isolated from Picrorhiza Kurroa Royle ex Benth, with anti-asthmatic effects[1].
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.
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].
5-[3-(tert-butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
O2-(4-Methoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-2-carbohydroximamide
N3-(2-methoxyphenyl)-5-(2-phenyleth-1-ynyl)nicotinamide
C21H16N2O2 (328.12117159999997)
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one
(2S,3R,4S,5S,6R)-2-[4-(3-hydroxybutyl)phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
1-[2-hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
1??,2??-Epoxy-10??-hydroperoxy-3??,4??,8??-trihydroxyguaia-11(13)-en-12,6??-olide
Levatin
(+/-)-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
(2R)-2-(4-O-beta-D-glucopyranosylphenyl)propionic acid
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
(2R)-3-hydroxy-2-phenylpropionyl beta-D-glucopyranoside
5-(3-hydroxypropyl)-2-(2,3-dimethoxy-4-hydroxyphenyl)benzofuran
(2S)-2-hydroxyneomajucin|(2S)-hydroxyneomajucin|(2S*)-hydroxyneomajucin
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.
1-O-ethyl-6-(p-hydroxybenzoyl)-beta-D-glucopyranoside|Ethyl (6-O-p-hydroxybenzoyl)-??-D-glucopyranoside
(2R,3R)-1-phenyl-2,3-butanediol 2-O-beta-D-glucopyranoside|everlastoside I
(2S)-3-O-beta-D-glucopyranosyl-2-phenylpropionic acid
(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
(E)-16-bromohexadec-15-en-5-ynoic acid
C16H25BrO2 (328.10378099999997)
(E)-caffeyl alcohol 4-O-beta-glucopyranoside|BJ-83|coniferin|Demethyl coniferin
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
1-(3,5-dihydroxy-2-methylphenyl)ethanone-5-O-beta-D-glucopyranoside|monspelioside
5-Hydroxy-7-methoxy-2-(p-methoxyphenyl)-6,8-dimethyl-4-chromanone, (.+/-.)-
1-(3,5-dihydroxyphenyl)propan-2-one 3-O-beta-glucopyranoside|grammatophylloside D
2,4-Dihydroxy-6-methylbenzoic acid 2-(3-methyl-2-butenyl)-4-hydroxyphenyl ester
1-(2-hydroxy-6-methylphenyl)-2-hydroxyethanone 2-O-beta-D-glucopyranoside|juniperoside V
(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
2,3,4-trimethoxy-phenazine-1-carboxylic acid methyl ester|2.3.4-Trimethoxyphenazin-1-carbonsaeuremethylester
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
(2S)-2-(4-hydroxyphenyl)propionyl beta-D-glucopyranoside
dihydrocinnacasside|o-hydroxyphenylpropanoyl O-beta-D-glucopyranoside
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)
2-(1-propen-1-yl)-4-hydroxymethyl-3-furanylcarbonyl alpha-L-rhamnopyranoside
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
4-Me ether,2-O-beta-D-glucopyranoside-2,4-Dihydroxyacetophenone,
1-formyl-3-(2-hydroxymethyl-4-methoxyphenyl)-6-methoxy-2,4-dihydroquinazoline|dictyoquinazol B
C18H20N2O4 (328.14230000000003)
(1R,5R,6S,7R,8S,11S)-6,7,8-Triacetoxy-2,10-dioxatricyclo<6.2.1.05,11>undecan|(1R,5R,6S,7R,8S,11S)-6,7,8-Triacetoxy-2,10-dioxatricyclo[6.2.1.05,11]undecan
Anisatin
A sesquiterpene lactone with formula C15H20O8. It is a neurotoxic natural product found in plants of the family Illiciaceae. Anisatin is a natural product found in Illicium henryi, Illicium simonsii, and other organisms with data available. Anisatin is a plant toxin found in the Japanese star anise (Illicium anisatum). The Japanese star anise has been burned as incense in Japan, where it is known as shikimi, as well as used in topical folk remedies. (L1226) Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
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
Liranaftate
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use C254 - Anti-Infective Agent > C514 - Antifungal Agent Liranaftate (Piritetrate) is a squalene epoxidase inhibitor with anti-fungicidal activities. Liranaftate can be used for the research of dermatophytes. Liranaftate also suppresses fungal element-promoted production of IL-8 and experimental inflammation[1][2][3][4].
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)
Paeonoside
Paeonoside is a glycoside. Paeonoside is a natural product found in Spiranthes sinensis, Spiranthes vernalis, and other organisms with data available.
C16H24O7_4-(3-Hydroxybutyl)phenyl beta-D-glucopyranoside
C16H24O7_beta-D-Glucopyranoside, 5-(hydroxymethyl)-2-(1-methylethyl)phenyl
C15H20O8_4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
C15H20O8_3-(4-Hydroxyphenyl)-3-oxopropyl beta-D-glucopyranoside
C15H20O8_2-Acetyl-5-hydroxy-3-methylphenyl beta-D-glucopyranoside
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
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
1-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-1-one_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].
3-(4-Hydroxyphenyl)-3-oxopropyl ?-D-glucopyranoside
1-(METHYLAMINO)-4-(PHENYLAMINO)ANTHRACENE-9,10-DIONE
C21H16N2O2 (328.12117159999997)
N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)methanesulfonamide
3-(1H-IMIDAZOL-4-YL)PROPYL-DI(4-FLUORO-PHENYL)-METHYL ETHER HCL
Sulfapyrazole
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
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
ethyl 2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-4-oxo-butanoat e
C14H20N2O5S (328.10928700000005)
(5R)-3-amino-7-methyl-5,9-diphenyl-2-oxa-8,9-diazabicyclo[4.3.0]nona-3,7,10-triene-4-carbonitrile
6-Methyl-2-pyridinyl 2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside
C14H20N2O5S (328.10928700000005)
benzyl 3-fluoro-4-(3-oxopyrrolidin-1-yl)phenylcarbamate
C18H17FN2O3 (328.12231440000005)
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl benzoate
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
3,4-DI(FURAN-2-YL)-1-(PYRIDIN-2-YL)-6,7-DIHYDRO-5H-CYCLOPENTA[C]PYRIDINE
C21H16N2O2 (328.12117159999997)
[4-(4-fluoro-phenyl)-piperazin-1-yl]-p-tolyl-acetic acid
C19H21FN2O2 (328.15869779999997)
2,6-BIS-(4-METHOXY-PHENYL)-TETRAHYDRO-THIOPYRAN-4-ONE
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)
5-Chloro-1-(4-fluorophenyl)-3-(piperidin-4-yl)-1H-indole
(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-[2-(2-Mercaptoethoxy)ethoxy]ethyl alpha-D-galactopyranoside
4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid 1,1-dimethylethyl ester
C18H17FN2O3 (328.12231440000005)
2-(5-Butoxy-4-chloro-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C16H23BClFO3 (328.14127199999996)
2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]BENZOIC ACID
C14H20N2O5S (328.10928700000005)
Methyl 2-(4-Benzylpiperazino)-5-fluorobenzoate
C19H21FN2O2 (328.15869779999997)
N-Methyl-1-(phenylmethyl)-1H-indole-5-ethanesulfonamide
N-(5-Aminopentyl)-1-naphthalenesulfonamide Hydrochloride
C15H21ClN2O2S (328.10121960000004)
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
(3-(Tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
C15H21ClN2O2S (328.10121960000004)
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)
(4r)-7-Chloro-9-Methyl-1-Oxo-1,2,4,9-Tetrahydrospiro[beta-Carboline-3,4-Piperidine]-4-Carbonitrile
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
2-[3-[(4-ethoxycarbonylphenyl)hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienyl]acetic Acid
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)
[(2R,3R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (2R)-2-hydroxy-3-phenylpropanoate
(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)
N,3-dimethyl-5-propyl-N-(2-thiazolylmethyl)-2-benzofurancarboxamide
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
4-Acetyl-3-hydroxy-5-methylphenyl beta-D-glucopyranoside
5-Methyl-2-phenyl-4-[(3-quinolinylamino)methylidene]-3-pyrazolone
(3,5-Dimethoxyphenyl)-(4-methylsulfonyl-1-piperazinyl)methanone
C14H20N2O5S (328.10928700000005)
6-(hydroxymethyl)-8-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pteridine-2,4(3H,8H)-dione
N-(4-chloro-2,5-dimethoxyphenyl)-3-methyl-1-piperidinecarbothioamide
C15H21ClN2O2S (328.10121960000004)
[(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
2-[[1-(4-Methylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]acetic acid ethyl ester
4-[[[2-(3-Methylphenyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester
3-[(2-Chlorophenyl)methyl]-5-methyl-7-(1-pyrrolidinyl)triazolo[4,5-d]pyrimidine
6-(butan-2-ylthio)-1-(3,4-dimethylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
2-(3-Phenyl-1-indazolyl)acetic acid phenyl ester
C21H16N2O2 (328.12117159999997)
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)
1-[4-[2-(2-Propan-2-ylidenehydrazinyl)-4-thiazolyl]phenyl]pyrrolidine-2,5-dione
(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
(1S,5R)-3-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane
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
(1R,5S)-6-methylsulfonyl-7-(4-phenylphenyl)-3,6-diazabicyclo[3.1.1]heptane
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.
N-[2-[bis(trideuteriomethyl)amino]cyclohexyl]-3,4-dichloro-N-methylbenzamide
WURCS=2.0/2,2,1/[h1122h][a1221m-1a_1-5]/1-2/a4-b1
C12H24O10 (328.13694039999996)
5-Methoxy-3-methyl-2-benzofurancarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester
2-O-(alpha-L-fucopyranosyl)-D-mannitol
C12H24O10 (328.13694039999996)
6-(3-Ethyl-5-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(E)-4-hydroxy-3-methylbut-1-enyl]benzene-1,3-diol
2-[2-(4-hydroxy-3-methoxybenzylidene)hydrazino]-2-oxo-N-(3-pyridinylmethyl)acetamide
2-O-(6-alpha-L-fucopyranosyl)-D-glucitol
C12H24O10 (328.13694039999996)
3-methoxy-N-[(Z)-[2-(2,2,2-trifluoroacetyl)cyclopentylidene]amino]benzamide
C15H15F3N2O3 (328.10347160000003)
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
6-(4-Ethyl-2-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
[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
(2S)-2-amino-6-[[(3R)-4-hydroxy-2-oxo-3-phosphonooxybutyl]amino]hexanoic acid
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
9-Acetoxy-4,4-ethylenedioxy-1-methoxycarbonyl-9-methyl-7-oxabicyclo(4.3.0)nonan-8-one
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
1-deoxy-1-(7-hydroxy-6-methyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol
reticulinylium
C19H22NO4+ (328.15487520000005)
A benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline.
(1S,2R,4R,5R,6S,7R,8S,11R)-4,5,7,11-tetrahydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3-oxetane]-2,10-dione
Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1]. Anisatin, a pure toxic substance isolated from the seeds of a Japanese plant (Illicium anisatum) acts as a picrotoxin-like, non-competitive GABA antagonist. Anisatin suppresses GABA-induced currents in a concentration-dependent manner with an EC50 of ~1.10?μM[1].
(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.
3,4-Dichloro-N-[(1-dimethylaminocyclohexyl)methyl]benzamide
3,4-Dichloro-N-[(1R,2R)-2-(dimethylamino)cyclohexyl]-N-methylbenzamide
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].