Exact Mass: 298.154
Exact Mass Matches: 298.154
Found 500 metabolites which its exact mass value is equals to given mass value 298.154,
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
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).
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A member of the class of hydroxycoumarins that is umbelliferone in which the ring hydrogen at position 8 has been replaced by a geranyl group.
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Auraptene is a member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group.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.
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.
7-(3,7-Dimethylocta-2,6-dienoxy)-1-benzopyran-2-one
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].
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].
4-(3-Methyl-2-butenyl)-5-(2-phenylethyl)benzene-1,2,3-triol
N,alpha,N,alpha-Cyclodi(4-methylaminobenzeneethanol)
2-(2,3-Epoxy-1,3-heptadienyl)-6-hydroxy-5-(3-methyl-2-butenyl)benzaldehyde
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
4-[6-[2-(4-Hydroxyphenyl)ethyl]-3,4,5,6-tetrahydro-2H-pyran-2-yl]phenol
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
7-Hydroxy-6-(1-ethenyl-1,5-dimethyl-4-hexenyl)-2H-1-benzopyran-2-one
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
(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
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].
4-(2-Hydroxy-3-methyl-3-butenyl)-5-phenethylresorcinol
(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
(3S,4S)-4,10-dimethoxy-8-methyl-3-(prop-1-en-2-yl)-3,4-dihydro-1H-benzo[h]isochromene|cichorin B
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
2-(Dimethylamino)-5-(1H-indole-3-yl)-5-(2-oxopropyl)-2-imidazoline-4-one
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
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
NeocryptotanshinoneII
Deoxyneocryptotanshinone is a natural product found in Salvia miltiorrhiza with data available.
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
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
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
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
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
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
2-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbaldehyde
2-methyl-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoic acid
BENZYL 2-PROPYLPIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
2-[2-[4-(dimethylamino)phenyl]ethenyl]-5-nitrobenzene-1,4-diamine
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.
4-(4-phenylphenyl)-2,3-dihydro-1H-1,5-benzodiazepine
ISOPROPYL 1,1-DIMETHYL-1,2,3,6-TETRAHYDROAZEPINO[4,5-B]INDOLE-5-CARBOXYLATE
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
3-(3-CARBAZOL-9-YL-2-HYDROXY-PROPYLAMINO)-PROPAN-1-OL
(-)-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
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
6-Methoxypyridine-2-boronic acid N-phenyldiethanolamine ester
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
(+)-(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.
(-)-(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
1-(3-Tert-butyl-2-hydroxy-6-phenylmethoxyphenyl)ethanone
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
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
(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
(+)-(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.
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
(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
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.
[(1S)-1-carboxy-3-(4-hydroxy-3,5-dimethoxyphenyl)propyl]-trimethylazanium
5-Isopentyl-6-methyl-2-(methylsulfanyl)-4-pyrimidinol, TMS derivative
3-Hydroxy-4-(2,6,7-trihydroxy-6-methylheptan-2-yl)benzoic acid
4,4-Hexamethylene-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
oripavine(1+)
The trialkylammonium ion resulting from the protonation of the amino group of oripavine; Major species at pH 7.3.
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.
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.
(3s,3as,6r,7s,8r,8ar)-6,8-dihydroxy-3,6,8-trimethyl-tetrahydro-3h-spiro[cyclohepta[b]furan-7,2'-oxolane]-2,5'-dione
(12s)-2-oxatricyclo[13.2.2.1³,⁷]icosa-1(17),3(20),4,6,15,18-hexaene-4,12-diol
(6e)-3-oxotetradec-6-en-8,10,12-triyn-1-yl 3-methylbutanoate
5,9,11,13-tetrahydroxy-2,6,10-trimethyl-8-oxatetracyclo[7.3.1.0¹,⁵.0⁶,¹⁰]tridecan-4-one
7-{[(2z)-3,7-dimethylocta-2,6-dien-1-yl]oxy}chromen-2-one
4-[(2r,3r)-4-(2h-1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]phenol
(1s,2r,4r,6r,7r,8s,9r,12s)-2,8-dihydroxy-6-(hydroxymethyl)-12-isopropyl-7-methyl-5,10-dioxatetracyclo[7.2.1.0²,⁷.0⁴,⁶]dodecan-11-one
4-[(3r,6e)-3-hydroxy-7-phenylhept-6-en-1-yl]benzene-1,2-diol
5-methoxy-6,12,12-trimethyltetracyclo[8.5.0.0¹,¹¹.0³,⁸]pentadeca-3(8),4,6-triene-2,9-dione
7-hydroperoxy-3,9-dihydroxy-3,10-dimethyl-6-methylidene-3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-2-one
(3s,5s)-7-(4-hydroxyphenyl)-1-phenylhept-1-ene-3,5-diol
4,5,7,9-tetrahydroxy-4a,8-dimethyl-3-methylidene-octahydro-3ah-azuleno[6,5-b]furan-2-one
3,4,6-trihydroxy-6-(4-methyl-5-oxocyclohex-3-en-1-yl)-2-methylideneheptanoic acid
4-(2-{5-[(2r)-2-hydroxypropyl]-2-methoxyphenyl}prop-2-en-1-yl)phenol
(1r,2r,5r,7s,10s)-10-hydroperoxy-2-isopropyl-5-methyl-11,12-dioxatricyclo[5.3.2.0¹,⁵]dodec-8-ene-8-carboxylic acid
2-methyl-6-methylideneocta-2,7-dien-1-yl 3-(4-hydroxyphenyl)prop-2-enoate
4-[5-hydroxy-7-(4-hydroxyphenyl)hept-1-en-1-yl]phenol
4',6,7-trihydroxy-6',7-dimethyl-1,4,5,6-tetrahydrospiro[2-benzopyran-3,2'-oxan]-8-one
(2r)-2,3-dihydroxy-2-(2-hydroxy-5-methoxy-4-methylphenyl)propyl 2-methylpropanoate
5-[(1r)-1-methoxyethyl]-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol
2',5,6-trihydroxy-2',4,4'-trimethyl-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-en-7'-one
(3r,4's,6r,6's,7r)-4',6,7-trihydroxy-6',7-dimethyl-1,4,5,6-tetrahydrospiro[2-benzopyran-3,2'-oxan]-8-one
4-[(1e,5s)-5-hydroxy-7-(4-hydroxyphenyl)hept-1-en-1-yl]phenol
3-hydroxy-2-isopropyl-8,8-dimethyl-6,7-dihydro-5h-phenanthrene-1,4-dione
14-methoxy-7,7,13-trimethyltricyclo[9.4.0.0³,⁸]pentadeca-1(11),2,12,14-tetraene-4,10-dione
2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-3',4',10'-triol
6-[(3r)-3,7-dimethylocta-1,6-dien-3-yl]-7-hydroxychromen-2-one
(1's,2'r,4's,7'r,9'r,10'r,11's)-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-ene-4',10',11'-triol
1-[(1r,2s,4ar,8as)-2-(2h-1,3-benzodioxol-5-yl)-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]ethanone
1α-hydroxy-3-deoxypseudoanisatin
{"Ingredient_id": "HBIN002307","Ingredient_name": "1\u03b1-hydroxy-3-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC1C(=O)CC23CC(=O)OCC1(C2(C(CC3(C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9988","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1α-hydroxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN002308","Ingredient_name": "1\u03b1-hydroxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC1C(=O)CC23CC(=O)OCC1(C2(C(CC3(C)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9989","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(2s)-hydroxy-6-deoxypseudoanisatin
{"Ingredient_id": "HBIN006813","Ingredient_name": "(2s)-hydroxy-6-deoxypseudoanisatin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC1C(C(C2(C13CC(=O)C(C2(COC(=O)C3)C)C)O)O)O","Ingredient_weight": "298.33 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9990","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101254353","DrugBank_id": "NA"}
5-(1-methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene
{"Ingredient_id": "HBIN010964","Ingredient_name": "5-(1-methoxyethyl)-2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene","Alias": "5-(1-methoxyethyl)-1,7-dimethyl-9,10-dihydrophenanthrene-2,6-diol; 5-(1-methoxyethyl)2,6-dihydroxy-1,7-dimethyl-9,10-dihydrophenanthrene; AC1NSY2S","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC1=C(C(=C2C(=C1)CCC3=C2C=CC(=C3C)O)C(C)OC)O","Ingredient_weight": "298.41","OB_score": "35.77091094","CAS_id": "NA","SymMap_id": "SMIT00719","TCMID_id": "13917;31539","TCMSP_id": "MOL007905","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-geranyloxy-7-hydroxycoumarin
{"Ingredient_id": "HBIN011548","Ingredient_name": "5-geranyloxy-7-hydroxycoumarin","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC(=CCCC(=CCC1=C2C=CC(=O)OC2=CC(=C1)O)C)C","Ingredient_weight": "298.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "8323","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "16638035","DrugBank_id": "NA"}
5-hydroxy-7-(4''-hydr oxyphenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011648","Ingredient_name": "5-hydroxy-7-(4''-hydr oxyphenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10214","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
{"Ingredient_id": "HBIN011901","Ingredient_name": "(5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one","Alias": "(5R)-5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-heptan-3-one","Ingredient_formula": "C19H22O3","Ingredient_Smile": "NA","Ingredient_weight": "298.38","OB_score": "7.928535955","CAS_id": "529510-66-5","SymMap_id": "SMIT04772","TCMID_id": "NA","TCMSP_id": "MOL002553","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5r-hydroxy-7-(4''-hydroxyphenyl)-1-phenyl-3-heptanone
{"Ingredient_id": "HBIN011918","Ingredient_name": "5r-hydroxy-7-(4''-hydroxyphenyl)-1-phenyl-3-heptanone","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10213","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,8-diprenylumbelliferone
{"Ingredient_id": "HBIN012128","Ingredient_name": "6,8-diprenylumbelliferone","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)CC=C(C)C)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6497","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,10-dihydro-2,6-dihydroxy-5-(1-methoxyethyl)-1,7-dimethylphenanthrene
{"Ingredient_id": "HBIN013928","Ingredient_name": "9,10-dihydro-2,6-dihydroxy-5-(1-methoxyethyl)-1,7-dimethylphenanthrene","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "NA","Ingredient_weight": "298.38","OB_score": "NA","CAS_id": "147850-90-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7313","PubChem_id": "NA","DrugBank_id": "NA"}
acerogenin a
{"Ingredient_id": "HBIN014376","Ingredient_name": "acerogenin a","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "C1CCC2=CC(=C(C=C2)O)OC3=CC=C(CCC(C1)O)C=C3","Ingredient_weight": "298.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "97","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12000158","DrugBank_id": "NA"}
acerogenin b
{"Ingredient_id": "HBIN014377","Ingredient_name": "acerogenin b","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "C1CCC2=CC=C(C=C2)OC3=C(C=CC(=C3)CCC(C1)O)O","Ingredient_weight": "298.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "98","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10913542","DrugBank_id": "NA"}
α,α'-dihydro-3,5,4'-trihydroxy-5'-isopentenyl-stilbene
{"Ingredient_id": "HBIN015350","Ingredient_name": "\u03b1,\u03b1'-dihydro-3,5,4'-trihydroxy-5'-isopentenyl-stilbene","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5729","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
amoenin
{"Ingredient_id": "HBIN015879","Ingredient_name": "amoenin","Alias": "NA","Ingredient_formula": "C15H22O6","Ingredient_Smile": "CC(C)C1C2C(C3(C(C1C(=O)O2)(CC4C3(O4)CO)O)C)O","Ingredient_weight": "298.33","OB_score": "NA","CAS_id": "70219-71-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6835","PubChem_id": "101967060","DrugBank_id": "NA"}
bibenzyl cpb-2002-50-1390-3
{"Ingredient_id": "HBIN018399","Ingredient_name": "bibenzyl cpb-2002-50-1390-3","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC1(C(O1)CC2=C(C=C(C=C2CCC3=CC=CC=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2348","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bibenzyl cpb-2002-50-1390-4
{"Ingredient_id": "HBIN018400","Ingredient_name": "bibenzyl cpb-2002-50-1390-4","Alias": "NA","Ingredient_formula": "C19H22O3","Ingredient_Smile": "CC1(C(O1)CC2=C(C=C(C=C2CCC3=CC=CC=C3)O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2349","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
