Exact Mass: 298.1488654
Exact Mass Matches: 298.1488654
Found 500 metabolites which its exact mass value is equals to given mass value 298.1488654,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Trimeprazine
Trimeprazine is only found in individuals that have used or taken this drug. It is a phenothiazine derivative that is used as an antipruritic. [PubChem]Trimeprazine competes with free histamine for binding at HA-receptor sites. This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D003879 - Dermatologic Agents > D000982 - Antipruritics
Ostruthin
A natural product found in Peucedanum ostruthium.
Fumigaclavine A
Fumigaclavine A is an alkaloid from Aspergillus fumigatu Fumigaclavine A. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=6879-59-0 (retrieved 2024-08-26) (CAS RN: 6879-59-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Enterolactone
Enterolactone (CAS: 78473-71-9) is a mammalian lignan that has a similar biphenolic structure to lignans from plants. Lignans are compounds with estrogenic properties and are probably the most important source of phytoestrogens in western diets. Mammalian lignans are formed from precursors that are contained mainly in vegetables, whole grain products, and berries, via the action of intestinal microflora. Enterolactone is produced in the colon by the action of bacteria on secoisolariciresinol, matairesinol, and its glycosides. Secoisolariciresinol is converted to enterodiol which is subsequently converted to enterolactone as it passes through the colon. Matairesinol is converted directly to enterolactone. Enterolactone has been shown to possess weakly estrogenic and antiestrogenic activities, and it has been suggested that the high production of this antiestrogenic mammalian lignans in the gut may serve to protect against breast cancer in women and prostate cancer in men; however epidemiological evidence to date is conflicting (PMID: 16168401, 12270221, 11216511, 12107024). Enterolactone is a biomarker for the consumption of soybeans and other soy products. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens
Surestryl
8-Geranylumbelliferone
A member of the class of hydroxycoumarins that is umbelliferone in which the ring hydrogen at position 8 has been replaced by a geranyl group.
Artemether
Artemether is an artemisinin derivative that is artemisinin in which the lactone has been converted to the corresponding lactol methyl ether. It is used in combination with lumefantrine as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It has a role as an antimalarial. It is a sesquiterpenoid, a cyclic acetal, an organic peroxide, an artemisinin derivative and a semisynthetic derivative. Artemether is an antimalarial agent used to treat acute uncomplicated malaria. It is administered in combination with lumefantrine for improved efficacy. This combination therapy exerts its effects against the erythrocytic stages of Plasmodium spp. and may be used to treat infections caused by P. falciparum and unidentified Plasmodium species, including infections acquired in chloroquine-resistant areas. An artemisinin derivative that is used in the treatment of MALARIA. Artemether is an antimalarial agent used to treat acute uncomplicated malaria. It is administered in combination with lumefantrine for improved efficacy. This combination therapy exerts its effects against the erythrocytic stages of Plasmodium spp. and may be used to treat infections caused by P. falciparum and unidentified Plasmodium species, including infections acquired in chloroquine-resistant areas. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Artemether is an anti-malarial compound that targets drug-resistant strains of falciparum malaria. Artemether is an anti-malarial compound that targets drug-resistant strains of falciparum malaria.
Auraptene
Auraptene is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. It has a role as a plant metabolite, an antineoplastic agent, an apoptosis inducer, a dopaminergic agent, a neuroprotective agent, an antihypertensive agent, a gamma-secretase modulator, a vulnerary, an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor, a PPARalpha agonist, a gastrointestinal drug, a matrix metalloproteinase inhibitor, an antioxidant and a hepatoprotective agent. It is a member of coumarins and a monoterpenoid. It is functionally related to an umbelliferone. Auraptene is a natural product found in Clausena anisum-olens, Geijera parviflora, and other organisms with data available. Auraptene is found in citrus. Auraptene is isolated from Citrus aurantium (Seville orange) and bael fruit (Aegle marmelos) Auraptene is a natural bioactive monoterpene coumarin ether. It was first isolated from members of the genus Citrus. Auraptene has shown a remarkable effect in the prevention of degenerative diseases. Many studies have reported the effect of auraptene as a chemopreventative agent against cancers of liver, skin, tongue, esophagus, and colon in rodent models. The effect in humans is not yet known A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. Isolated from Citrus aurantium (Seville orange) and bael fruit (Aegle marmelos) Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1].
Olomoucine
Olomoucine is found in root vegetables. Olomoucine is a constituent of the cotyledons of radish D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Constituent of the cotyledons of radish. Olomoucine is found in root vegetables. D004791 - Enzyme Inhibitors
Gravelliferone
Gravelliferone is found in herbs and spices. Gravelliferone is isolated from Ruta graveolens (rue
Toxin T2 tetrol
T-2 Tetraol is a type-A trichothecene mycotoxin produced by different Fusarium species, including F. soprotrichioides, F. poae, and F. acuinatum that contaminate feedstuffs and cereal grains (PMID: 11843402, 31683661). T-2 Tetraol shows the highest toxicity in animals compared to other trichothecenes. It contains a tetracyclic sesquiterpenoid 12,13-epoxytrichothec-9-ene ring which is responsible for the high toxicological activity (PMID: 12749813). In T-2 Tetraol, a carbonyl group at the C-8 position is substituted by an ester. T-2 Tetraol is resistant to light and temperature, but sensitive to strong acid or alkaline conditions. Some coexisting bacteria or fungi can detoxify T-2 Tetraol by altering its structure. It is associated with a wide range of effects in animals including weight loss, diarrhea, lethargy, low plasma glucose, decreases in blood cell and leukocyte count. damage to cartilaginous tissues, and induction of apoptosis (PMID: 21417259). D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins Mycotoxin from Fusarium poae and Fusarium sporotrichioides
5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is from Alpinia officinarum (lesser galangal). From Alpinia officinarum (lesser galangal). 5-Hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices.
3,7,8,15-Scirpenetetrol
3,7,8,15-Scirpenetetrol is a mycotoxin from Fusarium graminearum. Mycotoxin from Fusarium graminearum
4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol
4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol is found in beverages. 4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol is a constituent of the rhizomes of Curcuma xanthorrhiza (Java turmeric). Constituent of the rhizomes of Curcuma xanthorrhiza (Java turmeric). 4-(3-Hydroxy-7-phenyl-6-heptenyl)-1,2-benzenediol is found in herbs and spices and beverages.
(+)-Ligballinol
(+)-ligballinol is a member of the class of compounds known as furanoid lignans. Furanoid lignans are lignans with a structure that contains either a tetrahydrofuran ring, a furan ring, or a furofuan ring system, that arises from the joining of the two phenylpropanoid units (+)-ligballinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-ligballinol can be found in pulses, which makes (+)-ligballinol a potential biomarker for the consumption of this food product. (+)-Ligballinol is found in pulses. (+)-Ligballinol is a stress metabolite of cell cultures of Vigna angularis (azuki bean
1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one
1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one is found in herbs and spices. 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one is isolated from Myrica gale (bog myrtle). Isolated from Myrica gale (bog myrtle). 1-(2,4-Dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenyl-2-propen-1-one is found in herbs and spices.
7-Hydroxy-5-methoxy-6,8-dimethylflavanone
7-Hydroxy-5-methoxy-6,8-dimethylflavanone is found in fruits. 7-Hydroxy-5-methoxy-6,8-dimethylflavanone is a constituent of Eugenia javanica (Java apple)
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is found in citrus. 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is an alkaloid from peelings of Citrus unshiu (satsuma mandarin). Alkaloid from peelings of Citrus unshiu (satsuma mandarin). 2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI is found in citrus.
5,7-Dimethoxy-6-methylflavanone
5,7-Dimethoxy-6-methylflavanone is found in tea. 5,7-Dimethoxy-6-methylflavanone is a constituent of Leptospermum scoparium (red tea). Constituent of Leptospermum scoparium (red tea). 5,7-Dimethoxy-6-methylflavanone is found in tea.
7C-aglycone
7C-aglycone is one of the two major aglycone urinary water-soluble metabolites of Phylloquinone (Vitamin K1) and menaquinones (vitamin K2), usually excreted as glucuronide conjugates; their structure suggests that they are formed by an oxidative degradation of the phytyl side chain involving enzymes of omega- and beta-oxidation. Newborn infants as a group, are known to have precariously low vitamin K stores and are routinely given vitamin K prophylaxis at birth. (PMIDs 7306367, 4833371, 15722567) [HMDB] 7C-aglycone is one of the two major aglycone urinary water-soluble metabolites of Phylloquinone (Vitamin K1) and menaquinones (vitamin K2), usually excreted as glucuronide conjugates; their structure suggests that they are formed by an oxidative degradation of the phytyl side chain involving enzymes of omega- and beta-oxidation. Newborn infants as a group, are known to have precariously low vitamin K stores and are routinely given vitamin K prophylaxis at birth. (PMIDs 7306367, 4833371, 15722567).
N-Desmethyl Olanzapine
C16H18N4S (298.12521080000005)
4-N-desmethylolanzapine 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)
(E)-3-(2,3-Dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
7-(3,7-Dimethylocta-2,6-dienoxy)-1-benzopyran-2-one
3,4-Dihydroxy-2-methoxy-4-methyl-3-[2-methyl-3-(3-methyl-but-2-enyl)-oxiranyl]-cyclohexanone
alpha-Artemether
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Artemether is an anti-malarial compound that targets drug-resistant strains of falciparum malaria. Artemether is an anti-malarial compound that targets drug-resistant strains of falciparum malaria.
Bilin
Carazolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Carazolol is a β1/β2 adrenoceptor antagonist of high potency used in the research of hypertension. Carazolol is also a potent, selective β3-adrenoceptor agonist[1].
Corrole
Nialamide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
Nvp dpp 728 dihydrochloride
Piribedil
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Piribedil is a potent and orally active dopamine D2 and dopamine D3 agonist. Piribedil is also a α2-adrenoceptors antagonist. Piribedil can inhibit MLL1 methyltransferase activity (EC50: 0.18 μM). Piribedil has the potential for the research of parkinson's disease, circulatory disorders, cancers[1][2][3][4].
Infectocaryone
4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)benzene-1,2,3-triol
N,alpha,N,alpha-Cyclodi(4-methylaminobenzeneethanol)
Hofmeisterin II
A natural product found in Eupatorium cannabinum subspecies asiaticum.
2-(2,3-Epoxy-1,3-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
2,4-Dihydroxy-6-methoxy-3,5-dimethylchalcone
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2 and 4, a methoxy group at position 6 and methyl groups at positions 3 and 5. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.
2-(1-Methyl-1H-pyrrol-2-yl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile
Carazolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Carazolol is a β1/β2 adrenoceptor antagonist of high potency used in the research of hypertension. Carazolol is also a potent, selective β3-adrenoceptor agonist[1].
N1-Acetyl-2-cyano-3-(4-phenylpiperazino)acrylamide
Nialamide
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AF - Monoamine oxidase inhibitors, non-selective D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
C10-LAS (TENTATIVE)
TENTATIVELY IDENTIFIED SPECTRUM ONLY!!!!!!!!!; Extracted (without noise removal) from BIO_N: mz297_15_rt18_07_HCD60_C10-LAS; CONFIDENCE Tentative identification: isomers possible (Level 3)
Hydroheptilidic-acid
[Raw Data] CBA58_Hydrohepteli_pos_50eV.txt [Raw Data] CBA58_Hydrohepteli_pos_40eV.txt [Raw Data] CBA58_Hydrohepteli_pos_30eV.txt [Raw Data] CBA58_Hydrohepteli_pos_20eV.txt [Raw Data] CBA58_Hydrohepteli_pos_10eV.txt
3-phenyl-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
1-(2,4-dihydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]-phenyl)-2-methyl-1-propanone|1-{2,4-dihydroxy-6-[(1E)-2-(4-hydroxyphenyl)ethenyl]phenyl}-2-methyl-1-propanone
4-[6-[2-(4-Hydroxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-pyran-2-yl]phenol
(7S,8S)-2,4-dihydroxy-7,3-epoxy-8,4-oxyneolign-7-ene|4-[(2S,3S)-3-Methyl-7-((E)-1-propenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]-1,3-benzenediol
1-alpha-hydroxy-3-deoxypseudoanisatin|1alpha-hydroxy-3-deoxypseudoanisatin|1??-Hydroxy-3-deoxypseudoanisatin
4E-1beta-hydroperoxy-3beta,11beta-dihydroxygermacra-4(5),10(14)-dien-12,6alpha-olide
1-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
7-Hydroxy-6-(1-ethenyl-1,5-dimethyl-4-hexenyl)-2H-1-benzopyran-2-one
5-(erythro-1,2-dihydroxypropyl)-2-(4-hydroxyphenyl)-3-methylbenzofuran
rel-5-(1R,5S-dimethyl-3R,4R,8S-trihydroxy-7-oxabicyclo[3,2,1]oct-8-yl)-3-methyl-2Z,4E-pentadienoic acid
2-isopropyl-5-methyl-p-hydroquinone-4-O-beta-xylopyranoside
6,9-Dimethyl-7-O-acetylergolin|9alpha-acetoxy-6,8beta-dimethyl-ergoline|Roquefortin A|roquefortine-A
1alpha-hydroxy-6-deoxypseudoanisatin|1??-Hydroxy-6-deoxypseudoanisatin
2-C-methyl-D-erythritol 3-O-beta-D-glucopyranoside|2-C-Methyl-D-erythritol 3-O-??-D-glucopyranoside
(3-Phenyl-propyl)-beta-D-glucopyranosid|(3-phenyl-propyl)-beta-D-glucopyranoside|3-phenyl-1-propanol beta-D-glucopyranoside|3-phenylpropan-1-ol beta-D-glucopyranoside|3-phenylpropyl beta-D-glucopyranoside
amentotaxin WB|rel-(3R,3aS,10bR)-3a,4,6,10b-tetrahydro-5-hydroxy-3,6,6-trimethyl-2H-benzo[5,6]indeno[1,2-b]furan-2,7(3G)-dione
aurapten
Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1].
2-C-methyl-D-erythritol 4-O-beta-D-fructofuranoside|2-C-Methyl-D-erythritol 4-O-??-D-fructofuranoside
2,2,4-trimethyl-6-(1-oxo-3-phenylprop-2-enyl)cyclohexane-1,3,5-trione|5-hydroxydesmosdumotin C|champanone B
4-(2-Hydroxy-3-methyl-3-butenyl)-5-phenethylresorcinol
2-trans-Cinnamoyl-3-hydroxy-5-methoxy-6,6-dimethyl-cyclohexa-2,4-dienon|2-trans-cinnamoyl-3-hydroxy-5-methoxy-6,6-dimethyl-cyclohexa-2,4-dienone|4-Hydroxy-6-methoxy-1.1-dimethyl-3-trans-cinnamoyl-cyclohexadien-(3.5)-on-(2)|ceroptene
(2R,2aR,4aS,5R,8R,8aS,8bS,9S)-octahydro-2,2a-dihydroxy-9-(2-hydroxy-1-methylethyl)-8b-methyl-5,6-methano-1,7dioxacyclopent[cd]azulen-6(2H)-one|dendronobilin C
3alpha-hydroxy-5beta-(4-hydroxytigloyloxy)-7-hydroxycarvotanacetone
12-senecioyloxytetradeca-2E,8E,10E-trien-4,6-diyne-1-ol
14-senecioyloxytetradeca-2E,8Z,10E-trien-4,6-diyne-1-ol|atractylodemayne A
trans-2,5-bis<(p-hydroxyphenyl)methyl>piperazine|trans-2,5-bis[(p-hydroxyphenyl)methyl]piperazine
2-Isobutyl-5-(1H-indole-3-yl)oxazole-4-carboxylic acid methyl ester
(3S,4S)-4,10-dimethoxy-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromene|cichorin B
(E)-9-(3,4-dimethylpent-2-enyloxy)-7H-furo[3,2-g]chromen-7-one
1,1,7-Trimethyl-3-methoxy-6,9-dihydroxy-1,2-dihydrophenanthrene-2-one
1-Me ether-9,10-Dihydro-2,6-dihydroxy-5-(1-hydroxyethyl)-1,7-dimethylphenanthrene|5-(1-Methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
(2aR,10aS)-3t,4,10t-Trihydroxy-2a,3c,8c-trimethyl-(2ar)-hexahydro-4c,7ac-methano-cyclopent[b]oxeto[2,3-c]oxocin-6-on|(2aR,10aS)-3t,4,10t-trihydroxy-2a,3c,8c-trimethyl-(2ar)-hexahydro-4c,7ac-methano-cyclopent[b]oxeto[2,3-c]oxocin-6-one
Tetra-Me ether-1,5-Di-Me ether-1,2,5,7-Tetrahydroxyphenanthrene
2-(Dimethylamino)-5-(1H-indole-3-yl)-5-(2-oxopropyl)-2-imidazoline-4-one
2-C-methyl-D-erythritol 3-O-beta-D-fructofuranoside|2-C-Methyl-D-erythritol 3-O-??-D-fructofuranoside
2-C-methyl-D-erythritol 1-O-beta-D-glucopyranoside|2-C-Methyl-D-erythritol 1-O-??-D-glucopyranoside
2-C-methyl-D-erythritol 1-O-beta-D-fructofuranoside|2-C-Methyl-D-erythritol 1-O-??-D-fructofuranoside
7,9,10-trihydroxy-4-oxobisabol-2,11-dien-13-oic acid
4-<2-hydroxy-2-(2-methoxy-5-(E)-propenylphenyl)propyl>phenol|4-[2-hydroxy-2-(2-methoxy-5-(E)-propenylphenyl)propyl]phenol
4-(3,3-Dimethyloxiranylmethyl)-5-(2-phenylethyl)benzene-1,3-diol
7-hydroxy-6-(2,4,4-trimethylcyclohex-1-enylmethyl)coumarin
8-(3,3-dimethylallyl)-7-(3,3-dimethylallyloxy)coumarin
(E)-3-[2,3-dihydro-2-(1-methylethenyl)-7-prenyl-5-benzofuranyl]-2-propenoic acid
(E)-N-[4-(3-methyl-2-oxo-2,5-dihydro-1H-pyrrol-1-yl)-butyl]-3-phenyl-2-propenamide|aglairubine
3-deoxy-10alpha(14)-epoxy-11alpha,13-dihydroxy-11,13-dihydroamphoricarpolide
2-C-methyl-D-erythritol 4-O-beta-D-glucopyranoside|2-C-Methyl-D-erythritol 4-O-??-D-glucopyranoside
3-Phenylpropanoic acid 2-hydroxy-2-(4-methylphenyl)propyl ester
7-Hydroxy-8-(7-methyl-3-methylen-oct-6-enyl)-cumarin, Peumorisin|7-Hydroxy-8-<7-methyl-3-methylen-oct-6-enyl>-cumarin, Peumorisin
3-(3,4,5-Trimethoxyphenyl)-3-methoxy-1-propanol acetate
2,4-Dihydroxy-3,7:4,8-diepoxylign-7-ene
NeocryptotanshinoneII
Deoxyneocryptotanshinone is a natural product found in Salvia miltiorrhiza with data available.
Phenethyl ferulate
Phenylethyl 3-methylcaffeate is a natural product found in Hansenia forbesii, Hansenia weberbaueriana, and Propolis with data available. Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1]. Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1]. Phenethyl ferulate is a major constituent ofQianghuo, shows inhibitory activity against cyclooxygenase (COX) and 5-lipoxygenase (5-LOX) with IC50 values of 4.35 μM and 5.75 μM, respectively[1].
7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one
3-hydroxy-4-(2,6,7-trihydroxy-6-methylheptan-2-yl)benzoic acid
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
C10-LAS (STANDARD MIX)
Auto-extracted from standard mix; CONFIDENCE Tentative identification: isomers possible (Level 3)
C10-LAS (SAMPLE)
Auto-extracted from 130925_neg_10.mzML; CONFIDENCE Tentative identification: isomers possible (Level 3)
C15H22O6_(2E)-3-[(3aS,4S,5R,7aS)-7a-Hydroxy-5-isopropyl-3-oxooctahydro-2-benzofuran-4-yl]-2-(hydroxymethyl)acrylic acid
C19H22O3_5-Hydroxy-6-(3-methyl-2-buten-1-yl)-2-[(1E)-1-penten-1-yl]-1-benzofuran-4-carbaldehyde
C15H22O6_(3beta,4alpha,8alpha)-12,13-Epoxytrichothec-9-ene-3,4,8,15-tetrol
C15H22O6_Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate
Enterolactone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens CONFIDENCE standard compound; INTERNAL_ID 483; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3951; ORIGINAL_PRECURSOR_SCAN_NO 3949 CONFIDENCE standard compound; INTERNAL_ID 483; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3959; ORIGINAL_PRECURSOR_SCAN_NO 3958 CONFIDENCE standard compound; INTERNAL_ID 483; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3921; ORIGINAL_PRECURSOR_SCAN_NO 3919 CONFIDENCE standard compound; INTERNAL_ID 483; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3952; ORIGINAL_PRECURSOR_SCAN_NO 3950 CONFIDENCE standard compound; INTERNAL_ID 483; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3939; ORIGINAL_PRECURSOR_SCAN_NO 3935 CONFIDENCE standard compound; INTERNAL_ID 483; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3939; ORIGINAL_PRECURSOR_SCAN_NO 3937 Annotation level-1
8-(4-hydroxyphenyl)-3-methoxy-6,7-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one
[2-[(E)-3,4-dihydroxypent-1-enyl]-6-oxooxan-3-yl] (E)-2-methylbut-2-enoate
methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate
Auraptene
Origin: Plant, Coumarins Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1]. Auraptene is the most abundant naturally occurring geranyloxycoumarin. Auraptene decreases the secretion of matrix metalloproteinase 2 (MMP-2) as well as key inflammatory mediators, including IL-6, IL-8, and chemokine (C-C motif) ligand-5(CCL5)[1].
T-2 Tetraol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
C10LAS
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); One of several possible homologues; Digitised from figure: approximate intensities
trimeprazine
R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AD - Phenothiazine derivatives C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D003879 - Dermatologic Agents > D000982 - Antipruritics
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based: Match]
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one [IIN-based on: CCMSLIB00000849019]
T-2 Tetraol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one_major
methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoate_major
[2-[(E)-3,4-dihydroxypent-1-enyl]-6-oxooxan-3-yl] (E)-2-methylbut-2-enoate_major
2-Furanpropanoic acid, tetrahydro-4-(1-naphthalenylmethyl)-5-oxo-
olomoucine
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins D004791 - Enzyme Inhibitors
Idebenone Metabolite (Benzenehexanoic acid, 2,5-dihydroxy-3,4-dimethoxy-6-methyl-)
Fumigaclavine A
An ergot alkaloid produced by the fungus Aspergillus fumigatus that is ergoline which is substituted by methyl groups at the 6 and 8beta positions, and by an acetoxy group at the 9beta position.
Gravelliferone
5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone
T2 Tetrol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3,7,8,15-Scirpenetetrol
N,a',N',a-Cyclodi(4-methylaminobenzeneethanol)
1-(3,4-Dihydroxyphenyl)-7-phenyl-6-hepten-3-ol
Methyl 2-(1,3,5-trihydroxy-4a-methyl-8-oxodecahydro-2-naphthalenyl)acrylate
(3S,6S,8AS)-6-((TERT-BUTOXYCARBONYL)AMINO)-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLIC ACID
5-(1,2-DIHYDROXY-2-(PYRIDIN-4-YL)ETHYL)-2,3-DIHYDRO-1H-INDEN-1-ONE O-METHYL OXIME
1-Carbazol-9-yl-3-(2-methoxy-ethylamino)-propan-2-ol
diethazine
C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent
4-TRIFLUOROMETHYL-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
2-methyl-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
3-[(4-tert-Butyl-2-methylphenoxy)methyl]phenylboronic acid
4-[(4-tert-Butyl-2-methylphenoxy)methyl]phenylboronic acid
BENZYL 2-PROPYLPIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
2-[2-[4-(dimethylamino)phenyl]ethenyl]-5-nitrobenzene-1,4-diamine
E-2-(3-Trifluoromethylphenyl)vinylboronic acid pinacol ester
3-(2-(Pyrrolidin-1-yl)ethylcarbamoyl)phenylboronic acid, HCl
Vortioxetine
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D049990 - Membrane Transport Modulators Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Vortioxetine is a inhibitor of 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT, with Ki values of 15 nM, 33 nM, 3.7 nM, 19 nM and 1.6 nM, respectively.
TERT-BUTYL 2-(3-OXOISOINDOLIN-4-YL)-1H-PYRROLE-1-CARBOXYLATE
(4-((2-(PYRROLIDIN-1-YL)ETHYL)CARBAMOYL)PHENYL)BORONIC ACID HYDROCHLORIDE
4-(4-phenylphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
[4-(6-FORMYLPYRIDIN-2-YL)PHENYL]CARBAMIC ACID TERT-BUTYL ESTER
2-[(4-TERT-BUTYL-2-METHYLPHENOXY)METHYL]PHENYLBORONIC ACID
piprozolin
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents A - Alimentary tract and metabolism > A05 - Bile and liver therapy > A05A - Bile therapy
ISOPROPYL 1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
tert-butyl 4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
N-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)ACETAMIDE HYDROCHLORIDE
2-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]PROPANOHYDRAZIDE
N-cyclohexyl-2-(3-formyl-2-methylindol-1-yl)acetamide
methyl N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]carbamate
2-[(4-Chlorophenyl)(1-methyl-4-piperidinylidene)methyl]pyridine
3-(3-CARBAZOL-9-YL-2-HYDROXY-PROPYLAMINO)-PROPAN-1-OL
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylbenzenesulfonamide
C15H26N2O2S (298.17148960000003)
2-[1,4]Diazepan-1-yl-5-propyl-benzenesulfonic acid
N-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
3-(Boc-amino)-3-(4-fluorophenyl)-N-hydroxypropanamide
(-)-BIS[(S)-1-PHENYLETHYL]AMINEHYDROCHLORIDE
5-tert-butylsulfonyl-2-piperidin-1-ylpyrimidin-4-amine
N-cyclopentyl-2-methyl-5-(3-nitrophenyl)pyrimidin-4-amine
5-TERT-BUTYL 1-ETHYL 3-AMINO-3A,4,6,6A-TETRAHYDROPYRROLO[3,4-C]PYRAZOLE-1,5-DICARBOXYLATE
1,2-Ethanediamine,N1-[[[2-(trimethoxysilyl)ethyl]phenyl]methyl]-
tert-Butyl 4-(1H-indol-3-yl)-3,6-dihydropyridine-1(2H)-carboxylate
2,4,6-Triisopropylbenzenesulfonyl Hydrazide
C15H26N2O2S (298.17148960000003)
N-cyclopentyl-2-methyl-5-(4-nitrophenyl)pyrimidin-4-amine
1,5-Dimethyl-2,4-bis[2-(trimethylsilyl)ethynyl]benzene
(4-(1-(4-ethylpiperazin-1-yl)ethyl)phenyl)boronic acid hydrochloride
C14H24BClN2O2 (298.16192639999997)
2-trifluoromethyl-trans-beta-styrylboronic acid pinacol ester
1-(4-Fluorophenyl)-5-methyl-2-phenylhexane-1,4-dione
[3-[6-(piperidin-1-ylmethyl)pyridin-2-yl]oxyphenyl]methanol
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthoic acid
C17H19BO4 (298.13763240000003)
6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester
1-(2,3-DIMETHYL-INDOL-1-YL)-3-[(FURAN-2-YLMETHYL)-AMINO]-PROPAN-2-OL
Benzenepropanoic acid, b-hydroxy-b-phenyl-, 2-acetylhydrazide
4-ETHYLAMINO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER-HCl
benzyl (2R)-2-propan-2-ylpiperazine-1-carboxylate,hydrochloride
benzyl (2R)-2-propylpiperazine-1-carboxylate,hydrochloride
benzyl (2S)-2-propylpiperazine-1-carboxylate,hydrochloride
Pamiparib
C16H15FN4O (298.12298319999996)
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01X - Other antineoplastic agents > L01XK - Poly (adp-ribose) polymerase (parp) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C62554 - Poly (ADP-Ribose) Polymerase Inhibitor D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors C471 - Enzyme Inhibitor
Ethyl 8-hydroxy-alpha-(2-propynylamino)-5-quinolinepropanoate
(E)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoic acid
(E)-3-(2,3-Dimethoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
(+)-(3R)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is hept-6-en-3-ol substituted by two 4-hydroxyphenyl groups at the terminal carbon atoms respectively (the R-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
2-amino-4-(cyclohex-3-en-1-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
(-)-(3S)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3S- stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(E)-2-(Hydroxymethyl)-3-[(3aalpha)-3-oxo-5beta-isopropyl-7aalpha-hydroxyoctahydroisobenzofuran-4alpha-yl]acrylic acid
Isopropyl 2-amino-5-[(diethylamino)carbonyl]-4-methylthiophene-3-carboxylate
N-(4-acetylphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
1-(3-Tert-butyl-2-hydroxy-6-phenylmethoxyphenyl)ethanone
3-Chloro-9-ethyl-6,7,8,9,10,11-hexahydro-7,11-methanocycloocta[B]quinolin-12-amine
Hexylphosphonic acid (R)-2-methyl-3-phenylpropyl ester
Hexylphosphonic acid (S)-2-methyl-3-phenylpropyl ester
(R)-pyridin-4-yl[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[b]pyran-2-one
(2S)-5-(dimethylamino)-9-methyl-2-prop-2-enylpyrazolo[1,2-a][1,2,4]benzotriazine-1,3-dione
Piribedil
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents N - Nervous system > N04 - Anti-parkinson drugs > N04B - Dopaminergic agents > N04BC - Dopamine agonists D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018491 - Dopamine Agonists C78272 - Agent Affecting Nervous System > C66884 - Dopamine Agonist Piribedil is a potent and orally active dopamine D2 and dopamine D3 agonist. Piribedil is also a α2-adrenoceptors antagonist. Piribedil can inhibit MLL1 methyltransferase activity (EC50: 0.18 μM). Piribedil has the potential for the research of parkinson's disease, circulatory disorders, cancers[1][2][3][4].
6-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one
2-(2-Hydroxy-4-methoxyphenyl)-5-(3-hydroxypropyl)benzofuran
A member of the class of benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a 3-hydroxypropyl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
5-(3-Hydroxypropyl)-2-(2-methoxy-4-hydroxyphenyl)benzofuran
A member of the class of benzofurans that is 1-benzofuran substituted by a 3-hydroxypropyl group at position 5 and a 4-hydroxy-2-methoxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.
Neopinone(1+)
The trialkylammonium ion resulting from the protonation of the amino group of neopinone.
Diphthinate
An amino acid zwitterion that is the conjugate base of cationic diphthine, formed via deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3.
N-propanoyl-gamma-L-glutamyl-L-orornithine-delta-lactam
[(2S,3S,4R,5R)-5-[6-(dimethylamino)-6,7-dihydro-3H-purin-9-ium-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]azanium
C12H22N6O3+2 (298.17533019999996)
(5R,6S)-3-(5-azaniumyl-2-methylpentan-2-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
(5R,6S)-3-(5-amino-2-methylpentan-2-yl)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-oxa-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
(5E)-2-[(E)-pyrrol-2-ylidenemethyl]-5-[[(5E)-5-(1H-pyrrol-2-ylmethylidene)pyrrol-2-yl]methylidene]pyrrole
(+)-(3R)-1-(3,4-dihydroxyphenyl)-7-phenyl-(6E)-6-hepten-3-ol
A diarylheptanoid that is (6E)-6-hepten-3-ol substituted by a 3,4-dihydroxyphenyl group at position 1 and a phenyl group at position 7 (the 3R- stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.
(-)-(3S)-1,7-bis(4-hydroxyphenyl)-(6E)-6-hepten-3-ol
A diarylheptanoid that is hept-6-en-3-ol substituted by two 4-hydroxyphenyl groups at the terminal carbon atoms respectively (the S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis and has been shown to inhibit NO production.
(2S)-5-hydroxy-7-methoxy-6,8-dimethylflavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and methyl groups at positions 6 and 8. It has been isolated from the buds of Cleistocalyx operculatus.
5-hydroxy-6-(3-methylbut-2-en-1-yl)-2-[(1E)-pent-1-en-1-yl]-1-benzofuran-4-carbaldehyde
4-(2-Naphthalenylmethyl)-1-piperazinecarboxylic acid ethyl ester
2-imino-10-propyltetrahydro-8a,3-(epoxymethano)chromene-3,4,4(2H,4aH)-tricarbonitrile
N-[6-(1-oxopentylamino)-3-pyridinyl]-3-pyridinecarboxamide
N-(4-{[2-(1H-pyrrol-2-ylmethylene)hydrazino]carbonyl}phenyl)butanamide
2-{4-[3-(5-Methyl-2-furyl)acryloyl]-1-piperazinyl}pyrimidine
5-Methyl-N-[4-(4-morpholinyl)phenyl]-2-pyrazinecarboxamide
2-[[3-[(2-Hydroxyphenyl)methyl]-1,3-diazinan-1-yl]methyl]phenol
N-[4-methyl-6-(1-oxobutylamino)-3-pyridinyl]-4-pyridinecarboxamide
2-[[2-(4-Methoxyphenyl)-5-methyl-7-pyrazolo[1,5-a]pyrimidinyl]amino]ethanol
(4bS,6aS,9aS,9bR)-6a-methyl-7-oxo-5,6,6a,7,8,9,9a,9b,10,11-decahydro-4bH-indeno[5,4-f]quinoline-2-carboxylate
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-methylbenzamide
1-Phenyl-3-(2-phenyldiazenylpropan-2-yl)thiourea
C16H18N4S (298.12521080000005)
(6R,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8R)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
2-[3-carboxylato-3-(trimethylammonio)propyl]-L-histidine
A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxylato-3-(trimethylammonio)propyl group.
2-[3-(2-Oxo-1-pyrrolidinyl)propyliminomethyl]indene-1,3-dione
1-(3,4-Dimethoxyphenyl)-3-[(5-methyl-2-pyridinyl)imino]-1-propanone
(6E)-6-(naphthalen-2-ylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
[(1S)-1-carboxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-trimethylazanium
C15H24NO5+ (298.16543939999997)
5-Isopentyl-6-methyl-2-(methylsulfanyl)-4-pyrimidinol, TMS derivative
C14H26N2OSSi (298.15350259999997)
5,6,7,14,15,16-Hexahydro-6,15-methanobenzo(A)naphtho(2,3-F)cyclodecene
3-Hydroxy-4-(2,6,7-trihydroxy-6-methylheptan-2-yl)benzoic acid
1-(2-Hydroxy-6-methoxyphenyl)-5-phenyl-1,3-pentanedione
1-(2-Hydroxy-5-methoxyphenyl)-5-phenyl-1,3-pentanedione
2-[3-(4-Methoxybenzoyl)phenyl]propionic acid methyl ester
2-[3-(3-Methoxybenzoyl)phenyl]propionic acid methyl ester
8,9-Diphenyltricyclo(5,2,1,0(2,6))deca-4,8-dien-3-one
4,4-Hexamethylene-2-para-tolylperhydropyrrolo(3,4-C)pyrrole-1,3-dione
5-Methyl-4,4-tetramethylene-2-para-tolylperhydropyrrolo(3,4-C)pyrrole-1,3-dione
(4S)-N-[1-(Methoxycarbonyl)-3-butenyl]-2-oxo-4beta-(tert-butyl)oxazolidine-3-carboxamide
[1-Carboxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-trimethylazanium
C15H24NO5+ (298.16543939999997)
oripavine(1+)
The trialkylammonium ion resulting from the protonation of the amino group of oripavine; Major species at pH 7.3.
N-Desmethylolanzapine
C16H18N4S (298.12521080000005)
2-methyl-3-[(2E)-5-carboxy-3-methylpent-2-enyl]-1,4-naphthoquinone
A member of the class of naphthoquinones that is 2-methyl-1,4-naphthoquinone which is substituted at position 3 by a (2E)-5-carboxy-3-methylpent-2-en-1-yl group. A urinary metabolite of vitamin K1.
2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI
2-(2,3-epoxy-(1->3)-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
A natural product found in Eurotium repens.
pyridinestrone-3-carboxylate
A steroid acid anion, that is the conjugate base of pyridinestrone-3-carboxylic acid. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8.
p-Ts-L-Lys-Me
A methyl ketone that is L-lysine with an alpha-amine hydrogen substituted with a 4-methylbenzenesulfonamide (tosyl) group and a methyl group replacing the hydroxy of the carboxylic acid.
1,7-Bis(4-hydroxyphenyl)-3-heptanone
A diarylheptanoid that is 3-heptanone substituted by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.
(E)-5-hydroxy-6-(3-methylbut-2-enyl)-2-(pent-1-enyl)benzofuran-4-carbaldehyde
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 5, a prenyl group at position 6 and a pent-1-en-1-yl group at position 2. Isolated from Chaetomium globosum, it exhibits radical scavenging activity.