Exact Mass: 335.19439239999997
Exact Mass Matches: 335.19439239999997
Found 491 metabolites which its exact mass value is equals to given mass value 335.19439239999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Senecionine
Senecionine is a pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. It has a role as a plant metabolite. It is a lactone, a pyrrolizidine alkaloid and a tertiary alcohol. It is functionally related to a senecionan. It is a conjugate base of a senecionine(1+). Senecionine is a natural product found in Dorobaea pimpinellifolia, Crotalaria micans, and other organisms with data available. Senecionine is an organic compound with the chemical formula C18H25NO5. It is classified as a pyrrolizidine alkaloid. See also: Petasites hybridus root (part of); Tussilago farfara flower (part of); Tussilago farfara leaf (part of). A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio. D000970 - Antineoplastic Agents Annotation level-1 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2251 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 122 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 102 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 142 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 152 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 162 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 172 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 132 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 112 [Raw Data] CB082a_Senecionine_pos_40eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_10eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_30eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_20eV_CB000034.txt [Raw Data] CB082a_Senecionine_pos_50eV_CB000034.txt Senecionine (Senecionan-11,16-dione, 12-hydroxy-) is a pyrrolizidine alkaloid could be isolated from Senecio vulgaris. Senecionine decreases the activities of glutathione S-transferase, aminopyrine demethylase and arylhydrocarbon hydroxylase (AHH)[1][2][3]. Senecionine (Senecionan-11,16-dione, 12-hydroxy-) is a pyrrolizidine alkaloid could be isolated from Senecio vulgaris. Senecionine decreases the activities of glutathione S-transferase, aminopyrine demethylase and arylhydrocarbon hydroxylase (AHH)[1][2][3].
isopentenyl adenosine
C15H21N5O4 (335.15934660000005)
Riboprine, also known as isopentenyladenosine or ipa, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Riboprine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Riboprine can be found in a number of food items such as peppermint, chinese mustard, custard apple, and green bean, which makes riboprine a potential biomarker for the consumption of these food products. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Acquisition and generation of the data is financially supported in part by CREST/JST. Same as: D05726 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Hydroxychloroquine
Hydroxychloroquine is only found in individuals that have used or taken this drug. It is a chemotherapeutic agent that acts against erythrocytic forms of malarial parasites.Although the exact mechanism of action is unknown, it may be based on ability of hydroxychloroquine to bind to and alter DNA. Hydroxychloroquine has also has been found to be taken up into the acidic food vacuoles of the parasite in the erythrocyte. This increases the pH of the acid vesicles, interfering with vesicle functions and possibly inhibiting phospholipid metabolism. In suppressive treatment, hydroxychloroquine inhibits the erythrocytic stage of development of plasmodia. In acute attacks of malaria, it interrupts erythrocytic schizogony of the parasite. Its ability to concentrate in parasitized erythrocytes may account for their selective toxicity against the erythrocytic stages of plasmodial infection. As an antirheumatic, hydroxychloroquine is thought to act as a mild immunosuppressant, inhibiting the production of rheumatoid factor and acute phase reactants. It also accumulates in white blood cells, stabilizing lysosomal membranes and inhibiting the activity of many enzymes, including collagenase and the proteases that cause cartilage breakdown. P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Senecivernine
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2276
Naratriptan
Naratriptan is only found in individuals that have used or taken this drug. It is a triptan drug used for the treatment of migraine headaches. It is a selective 5-hydroxytryptamine1 receptor subtype agonist.Three distinct pharmacological actions have been implicated in the antimigraine effect of the triptans: (1) stimulation of presynaptic 5-HT1D receptors, which serves to inhibit both dural vasodilation and inflammation; (2) direct inhibition of trigeminal nuclei cell excitability via 5-HT1B/1D receptor agonism in the brainstem and (3) vasoconstriction of meningeal, dural, cerebral or pial vessels as a result of vascular 5-HT1B receptor agonism. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
Ankorine
C19H29NO4 (335.20964740000005)
A pyridoisoquinoline that is 1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinoline which is substituted at positions 2, 3, and 8 by 2-hydroxyethyl, ethyl, and hydroxy groups, respectively, and by methoxy groups at positions 9 and 10 (the 2R,3R,11bS stereoisomer). It is a benzo[a]quinolizidine alkaloid isolated from the Indian medicinal plant Alangium lamarckii.
(+)-Validoxylamine-A
An amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. Validoxylamine A is an amino cyclitol that is (1R,2S,3S,4S,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol in which one of the hydrogens attached to the nitrogen is replaced by a (1R,4R,5R,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl group. It has a role as an EC 3.2.1.28 (alpha,alpha-trehalase) inhibitor, a bacterial metabolite, an antibiotic insecticide and an animal metabolite. It is an amino cyclitol and a secondary amino compound. It is functionally related to a validamine. It is a conjugate base of a validoxylamine A(1+). Validoxylamine A is a natural product found in Apis ceran
Lobelanine
Lobelanine is a member of acetophenones. Lobelanine is a natural product found in Lobelia sessilifolia, Lobelia inflata, and other organisms with data available. Lobelanine (8,10-Diphenyllobelidione) is a chemical precursor for the biosynthesis of Lobeline. Lobeline is a partial nicotinic agonist and is used as a smoking cessation agent[1][2]. Lobelanine (8,10-Diphenyllobelidione) is a chemical precursor for the biosynthesis of Lobeline. Lobeline is a partial nicotinic agonist and is used as a smoking cessation agent[1][2].
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide is found in fruits. N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide is an alkaloid from the leaves of Aegle marmelos (bael fruit
Almotriptan
Almotriptan is a triptan drug for the treatment of migraine headaches. Almotriptan is in a class of medications called selective serotonin receptor agonists. It works by narrowing blood vessels in the brain, stopping pain signals from being sent to the brain, and stopping the release of certain natural substances that cause pain, nausea, and other symptoms of migraine. Almotriptan does not prevent migraine attacks. N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].
9-peroxy-5Z,7E,11Z,14Z-eicosatetraenoate
This compound belongs to the family of Hydroperoxy Fatty Acids. These are fatty acids contaning a hydroperoxide group attached to the chain.
11-peroxy-5Z,8Z,12E,14Z-eicosatetraenoate
This compound belongs to the family of Hydroperoxy Fatty Acids. These are fatty acids contaning a hydroperoxide group attached to the chain.
Integerrimine
N6-Cyclopentyladenosine
C15H21N5O4 (335.15934660000005)
2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone
Acarviosin
Alkaloid A
Dansylcadaverine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
Hippuryl-L-arginine
C15H21N5O4 (335.15934660000005)
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
Riboprine
C15H21N5O4 (335.15934660000005)
2-(4-(Benzo[d][1,3]dioxol-5-yl)-2-tert-butyl-1H-imidazol-5-yl)-6-methylpyridine
N-6-Isopent-2-enyl-adenosine
C15H21N5O4 (335.15934660000005)
N-6-isopent-2-enyl-adenosine is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). N-6-isopent-2-enyl-adenosine can be found in wild celery, which makes N-6-isopent-2-enyl-adenosine a potential biomarker for the consumption of this food product.
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 3-[o-(dimethylamino)phenyl]-2,3-dihydro-5-methoxy-
3-Deoxy-3-methylaminoxylose-1,2-O-Isopropylidene, N-Ac, 5-benzyl
3-ethyl-2-(2-hydroxy-ethyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-11-ol|Ankorin
C19H29NO4 (335.20964740000005)
7-Senecioyl-9-sarracinoyl retronecine|7-senecioyl-9-sarracinylretronecine
Perforine
Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids; Origin: Plant
11-hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
C19H29NO2S (335.19188940000004)
(-)-4,4-Diphenyl-6-pyrrolidino-heptan-3-on|(-)-4,4-diphenyl-6-pyrrolidino-heptan-3-one
2,3-O-Isopropylidene-N-Dimethyladenosine
C15H21N5O4 (335.15934660000005)
3-Phenyl-5-(3-methyl-2-butenyl)-6-methoxy-8-hydroxyisoquinoline-1(2H)-one
C21H21NO3 (335.15213560000007)
4-Acetoxy-1,3,5,6-tetramethoxy-2-(N-methylacetylamino)hexane
C15H29NO7 (335.19439239999997)
2-(1-methyl-6-phenacylpiperidin-2-yl)-1-phenylethanone
N3-Ac,N8-Me,10-deoxy-搂脦-(2-Hydroxy-4-oxodecanoyl)histidine
C18H29N3O3 (335.22088040000006)
2-Deoxyribosylzeatin|2-Deoxyzeatin 9-beta-D-ribofuranoside|2-deoxyzeatin riboside|6-(4-hydroxy-3-methylbut-trans-2-enylamino)-9-beta-2-deoxy-D-ribofuranosylpurine|9-(2-deoxy-beta-D-ribofuranosyl)-trans-zeatin|cytokinin
C15H21N5O4 (335.15934660000005)
3alpha-hydroxy-6beta-(3-hydroxy-2-methyl-3-phenylpropionyloxy)-7beta-hydroxytropane
Squalidin
Integerrimine is a macrolide. Integerrimine is a natural product found in Crotalaria micans, Tussilago farfara, and other organisms with data available. See also: Petasites hybridus root (part of). D000970 - Antineoplastic Agents
isopentenyl-Adenosine-[d6]
C15H21N5O4 (335.15934660000005)
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyl-Adenosine
C15H21N5O4 (335.15934660000005)
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Isopentenyladenosine
C15H21N5O4 (335.15934660000005)
N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
(E)-methyl 11-(5-carbamoyl-4-oxo-4H-pyran-2-yl)undec-10-enoate_120105
N6-Isopentenyladenosine
C15H21N5O4 (335.15934660000005)
N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
Riboprine
C15H21N5O4 (335.15934660000005)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite D006133 - Growth Substances > D010937 - Plant Growth Regulators > D003583 - Cytokinins Same as: D05726 CONFIDENCE standard compound; INTERNAL_ID 306 N6-Isopentenyladenosine (Riboprine), an RNA modification found in cytokinins, which regulate plant growth/differentiation, and a subset of tRNAs, where it improves the efficiency and accuracy of translation. N6-Isopentenyladenosine, an end product of the mevalonate pathway, is an autophagy inhibitor with an interesting anti-melanoma activity[1][2][3].
hydroxychloroquine
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BA - Aminoquinolines COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D018501 - Antirheumatic Agents D004791 - Enzyme Inhibitors Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 2741
Almotriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Almotriptan is a selective agonist of 5-HT 1B/1D Receptor. Almotriptan can used in study of migraine attacks[1].
N-Cinnamoyl-p-prenyloxyphenethylamine
4-(4-nitrophenethyl)piperazine-1-carboxylic acid tert butyl ester
4-(4-nitrobenzylamino)piperidine-1-carboxylic acid tert-butyl ester
(3R,4S)-tert-Butyl 3-(1-ethoxyethoxy)-2-oxo-4-phenylazetidine-1-carboxylate
2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 6-BORONO-3,4-DIHYDRO-, 2-(1,1-DIMETHYLETHYL) 3-METHYL ESTER
Norpipanone
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
3-(Benzyloxy)-2-(2-(benzyloxy)ethoxy)pyridine
C21H21NO3 (335.15213560000007)
2-N-BOC-8-METHOXY-2-METHYLAMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLICACID
3-N-BOC-AMINO-1-[2-AMINO-1-(2-METHOXY-PHENYL)-ETHYL]-PYRROLIDINE
C18H29N3O3 (335.22088040000006)
3-N-BOC-AMINO-1-[2-AMINO-1-(4-METHOXY-PHENYL)-ETHYL]-PYRROLIDINE
C18H29N3O3 (335.22088040000006)
(3S,4S)-BENZYL 3-AMINO-4-((TERT-BUTOXYCARBONYL)AMINO)PYRROLIDINE-1-CARBOXYLATE
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxymethyl]benzoic acid
N-((3R,4R)-1-Benzyl-4-methylpiperidin-3-yl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Potassium tris(3,5-dimethyl-1-pyrazolyl)borate
C15H21BKN6 (335.15577360000003)
2-((tert-Butyldimethylsilyloxy)methyl)-6-(trimethylsilyl)furo[3,2-b]pyridine
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-{2-[(trimethylsilyl)oxy]propan-2-yl}pyridine
C17H30BNO3Si (335.20878999999996)
3-BENZYLOXY-1-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID
N6-Cyclopentyladenosine
C15H21N5O4 (335.15934660000005)
N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2]. N6-Cyclopentyladenosine (CPA) is a selective Adenosine A1 receptor agonist, with Ki values of 2.3 nM, 790 nM and 43 nM for human A1, A2A and A3 receptors, respectively[1][2].
(3R,4S)-1-tert-butoxycarbonyl-3-(2-ethoxyethoxy)-4-phenyl-2-azetidione
N-(ADAMANTAN-2-YL)-2-(NAPHTHALEN-2-YLOXY)ACETAMIDE
1-BOC-4-(CARBOXY-PYRIDIN-4-YL-METHYL)-[1,4]DIAZEPANE
1-[[2,4,6-Tris(isopropyl)phenyl]sulfonyl]-1H-1,2,4-triazole
azanium,2-methylidenehexanoic acid,2-methylprop-2-enoate,styrene
C19H29NO4 (335.20964740000005)
1-BOC-4-(CARBOXY-PYRIDIN-3-YL-METHYL)-[1,4]DIAZEPANE
N-[(2S)-1-Phenyl-2-propanyl]-L-lysinamide dihydrochloride
Benzoic acid,2-[[2-(phenylmethylene)heptylidene]amino]-, methyl ester
N-(2,2-DIMETHOXY-ETHYL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
Nylidrin hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
tert-butyl N-tert-butoxycarbonyl-n-(7h-purin-6-yl)carbamate
C15H21N5O4 (335.15934660000005)
3-phenyl-1-(6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxol-6-ylmethyl)pyrrolidine
Boc-(S)-3-Amino-4-(4-tert-butylphenyl)butyric Acid
C19H29NO4 (335.20964740000005)
Methyl 4-{5-[bis(2-hydroxyethyl)amino]-1-methyl-1H-benzimidazol-2 -yl}butanoate
azanium,butyl prop-2-enoate,2-methylprop-2-enoate,styrene
C19H29NO4 (335.20964740000005)
1-Benzyl-4-(3-trifuoromethyl)phenyl-4-piperdinol
C19H20F3NO (335.14969060000004)
4-(5-ETHOXYCARBONYL-PYRIDIN-2-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-butyl 6-fluoro-4-oxospiro[3H-chromene-2,4-piperidine]-1-carboxylate
C18H22FNO4 (335.15327840000003)
tert-Butyl 4-(2-nitrobenzylamino)piperidine-1-carboxylate
N-(3-Methyl-2-buten-1-yl)adenosine
C15H21N5O4 (335.15934660000005)
Ontazolast
C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent
sodium N-methyl-N-(1-oxotetradecyl)-beta-alaninate
C18H34NNaO3 (335.24362540000004)
1-[3,4-Bis(benzyloxy)phenyl](2H3)ethanone
C22H17D3O3 (335.16006853399995)
Boc-(R)-3-AMino-4-(4-tert-butyl-phenyl)-butyric acid
C19H29NO4 (335.20964740000005)
(S)-5-[(Biphenyl-4-yl)methyl]-1-(2,2-dimethylpropionyl)pyrrolidin-2-one
9,9-dimethyl-N-(naphthalen-2-yl)-9H-fluoren-2-amine
4-(3-(tert-butoxycarbonyl(cyclopropyl)aMino)propoxy)phenylboronic acid
4-(4,4-Difluoro-1,3,5,7-tetraMethyl-4-bora-3a,4a-diaza-s-indacene-8-yl)-butyric Acid
(9H-FLUOREN-9-YL)METHYL (4-OXOCYCLOHEXYL)CARBAMATE
C21H21NO3 (335.15213560000007)
Boxidine
C19H20F3NO (335.14969060000004)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent
tert-Butyl 4-(((2-nitrophenyl)amino)methyl)piperidine-1-carboxylate
tert-Butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate
6-Hydroxy-5-undecyl-4,7-benzothiazoledione
C18H25NO3S (335.15550600000006)
N-(4,4-Diphenyl-3-butenyl)nipecotic acid
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D018377 - Neurotransmitter Agents > D018682 - GABA Agents
Coumarin, 7-hydroxy-4-phenyl-8-(piperidinomethyl)-
C21H21NO3 (335.15213560000007)
N-tetradecanoyltaurine
C16H33NO4S (335.21301780000005)
A fatty acid-taurine conjugate derived from tetradecanoic acid.
4-Ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-[(Butylsulfanyl)methyl]pyrrolidin-3-Ol
2-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-6-(cyclopentyloxy)benzenolate
3-[4-(1-Formylpiperazin-4-yl)-benzylidenyl]-2-indolinone
Myristyltrimethylammonium bromide
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AJ - Quaternary ammonium compounds D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AC - Medicated shampoos C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
3-[1-(4-Carbamimidoylphenyl)triazol-4-yl]-4-methoxybenzenecarboximidamide
4-[[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]methyl]morpholine
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D002491 - Central Nervous System Agents > D000700 - Analgesics D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
leukotriene B4(1-)
The leukotriene anion that is the conjugate base of leukotriene B4 arising from deprotonation of the carboxylic acid function.
(5S,6E,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate
(5Z,8Z,10E,12S,14Z)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate
15(S)-Hpete(1-)
Conjugate base of 15(S)-HPETE arising from deprotonation of the carboxylic acid function.
(5Z,9E,14Z)-(8XI,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoate
Conjugate base of (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function.
(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyicosa-5,9,11,14-tetraenoate
(5Z,8R,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoate
(5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate
15(R)-Hpete(1-)
A hydroperoxy fatty acid anion that is the conjugate base of 15(R)-HPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoate
An unsaturated fatty acid anion that is the conjugate base of (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid, obtained by deprotonation of the carboxy group.
(8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoate
An unsaturated fatty acid anion that is the conjugate base of (8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoic acid, obtained by deprotonation of the carboxy group.
(10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoate
An unsaturated fatty acid anion that is the conjugate base of (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group.
(13E,15S)-15-Hydroxy-9-oxoprosta-8(12),13-dien-1-Oate
(1R,4Z,6R,7R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Strychnine(1+)
C21H23N2O2+ (335.17594379999997)
An indole alkaloid cation obtained by protonation of the tertiary amino group of strychnine.
7-[(1R,2S)-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoate
(5Z,8Z,14Z)-(11R,12S)-11,12-Epoxy-10-hydroxyeicosa-5,8,14-trienoate
(5S,7E,9E,11Z,13E,15S)-5,15-dihydroxyicosa-7,9,11,13-tetraenoate
(5Z,11Z,14Z)-(8S,9S,10R)-10-hydroxy-8,9-epoxyicosa-5,11,14-trienoate
Pyrrolizine-2,7-dione, 3-ethylidene-3,4,5,6,9,11,13,14,14a,14b-decahydro-6-hydroxy-5,6-dimethyl(1,6)dioxacyclododecino(2,3,4-gh)-
D000970 - Antineoplastic Agents
Pyridinopyrone C
C21H21NO3 (335.15213560000007)
A natural product found in Streptomyces species.
Pyridinopyrone B
C21H21NO3 (335.15213560000007)
A natural product found in Streptomyces species.
(5as,12as,13as)-12,12-Dimethyl-2,3,11,12,12a,13-Hexahydro-1h,5h,6h-5a,13a-(Epiminomethano)indolizino[7,6-B]carbazol-14-One
5-Hpete(1-)
A HPETE anion that is the conjugate base of 5-HPETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
15-Hpete(1-)
A HPETE anion that is the conjugate base of 15-HPETE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
5-(2-hydroxy-3,5-dimethylphenyl)-N-(4-methylbenzyl)-1H-pyrazole-3-carboxamide
5(S),15(S)-DiHETE(1-)
An icosanoid anion that is the conjugate base of 5(S),15(S)-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
5(S),11(R)-DiHETE(1-)
An icosanoid anion that is the conjugate base of 5(S),11(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
5(S),15(R)-DiHETE(1-)
An icosanoid anion that is the conjugate base of 5(S),15(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
4-[3-(4-Methoxyanilino)-3-oxopropyl]-1-piperazinecarboxylic acid ethyl ester
hepoxilin A3(1-)
A hepoxilin anion that is the conjugate base of hepoxilin A3, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
hepoxilin B3(1-)
A hepoxilin anion that is the conjugate base of hepoxilin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(8S)-hepoxilin A3(1-)
A hepoxilin A3 anion that is the conjugate base of (8S)-hepoxilin A3, obtained by deprotonation of the carboxylic acid group; major species at pH 7.3.
6-trans-leukotriene B4(1-)
A leukotriene anion that is the conjugate base of 6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
1-[(4-Tert-butylphenyl)methyl]-4-(4-nitrophenyl)imidazole
8,20-DiHETE(1-)
An icosanoid anion that is the conjugate base of 8,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
5,20-DiHETE(1-)
An icosanoid anion that is the conjugate base of 5,20-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
9(R)-Hpete(1-)
A HPETE anion obtained by deprotonation of the carboxy group of 9(R)-HPETE; major species at pH 7.3.
12,20-DiHETE(1-)
An icosanoid anion that is the conjugate base of 12,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propyl-2-pyridinecarboxamide
2-(7-Oxo-7-phenylheptyl)isoindoline-1,3-dione
C21H21NO3 (335.15213560000007)
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide
11(S)-hydroxy-14(S),15(S)-hepoxilin A3(1-)
An hepoxilin anion that is the conjugate base of 11(S)-hydroxy-14(S),15(S)-hepoxilin A3, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoate
An unsaturated fatty acid anion that is the conjugate base of (8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group.
(7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoate
A polyunsaturated fatty acid anion that is the conjugate base of (7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoate
An unsaturated fatty acid anion that is the conjugate base of (13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid, obtained by deprotonation of the carboxy group.
(5Z,8Z,11R,12E,14Z)-11-hydroperoxyicosa-5,8,12,14-tetraenoate
(5Z,8Z,11Z,13S)-13-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoate
(5S,6E,10E,12E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
(5Z,8Z,11Z)-13-[3-(5-hydroxypentyl)oxiran-2-yl]trideca-5,8,11-trienoate
(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one
(5Z,8S,9E,11Z,13E,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoate
(5Z,8Z,11Z)-13-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoate
(5Z)-7-{3-[(2Z,5Z)-11-hydroxyundeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoate
(5Z,8Z)-10-{3-[(2Z)-8-hydroxyoct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoate
(5S,6R,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoate
4-[4-[(2S,3S,4S)-2-cyano-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(2R,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(2S,3R)-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(2S,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(2S,3R)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one
C18H29N3O3 (335.22088040000006)
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosa-5,8,10,12-tetraenoate
(5Z,8Z,11Z)-13-hydroxy-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoate
Ethyl (Z)-2-cyano-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enoate
(5Z,8Z,12E)-11-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoate
4-{3-[(2Z,5Z,8Z)-14-hydroxytetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate
(5S,6S,7E,9E,11Z,14Z)-5,6-dihydroxyicosa-7,9,11,14-tetraenoate
4-[(Z)-[(2,6-dimethylquinolin-4-yl)hydrazinylidene]methyl]-2-ethoxyphenol
2-(1,1-Dimethyl-2-propenyl)-3-(1-hydroxy-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazine-3-ylmethyl)-1H-indole
6-Methoxy-3-methyl-9-[2-(6-methylpyridin-3-yl)ethyl]-1,2,3,4-tetrahydro-gamma-carboline
naratriptan
N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CC - Selective serotonin (5ht1) agonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents
MTAB
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AJ - Quaternary ammonium compounds D - Dermatologicals > D11 - Other dermatological preparations > D11A - Other dermatological preparations > D11AC - Medicated shampoos C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents Same as: D02164
5(S)-HPETE(1-)
Conjugate base of 5(S)-HPETE arising from deprotonation of the carboxylic acid function.
8(R)-HPETE(1-)
Conjugate base of 8(R)-HPETE arising from deprotonation of the carboxylic acid function.
Dansylcadaverine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-[6-(Cyclopentylamino)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
C15H21N5O4 (335.15934660000005)
N-2-[4-(3,3-Dimethylallyloxy)phenyl]ethylcinnamide
8(S),15(S)-DiHETE(1-)
A DiHETE(1-) that is the conjugate base of 8(S),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
8(S)-HPETE(1-)
A HPETE anion obtained by deprotonation of the carboxy group of (8S)-HPETE.
14(R),15(S)-DiHETE(1-)
A DiHETE(1-) that is the conjugate base of 14(R),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoate
An epoxy(hydroxy)icosatrienoate that is the conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
12(R)-HPETE(1-)
A hydroperoxy fatty acid anion that is the conjugate base of 12(R)-HPETE, obtained by deprotonation of the carboxy group.
(13S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate
A 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate that is the conjugate base of 13(S)-hydroxy-(14S,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoate(1-)
A 13-hydroxy-14,15-epoxy-(5Z,8Z,11Z)-icosatrienoate that is the conjugate base of 13-hydroxy-(14R,15S)-epoxy-(5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N(6)-(delta(2)-Isopentenyl)adenosine
C15H21N5O4 (335.15934660000005)
A nucleoside analogue in which adenosine has been modified by substitution at the 6-amino nitrogen by a Delta(2)-isopentenyl group.
prostaglandin B1(1-)
A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
12(S)-HPETE(1-)
Conjugate base of 12(S)-HPETE arising from deprotonation of the carboxylic acid function.
11(R)-HPETE(1-)
A hydroperoxy fatty acid anion that is the conjugate base of 11(R)-HPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
AcCa(12:4)
C19H29NO4 (335.20964740000005)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
N-(3-methylbut-3-en-1-yl)adenosine
C15H21N5O4 (335.15934660000005)
NL-1
C18H25NO3S (335.15550600000006)
NL-1 is a mitoNEET inhibitor with antileukemic effect. NL-1 inhibits REH and REH/Ara-C cells growth with IC50s of 47.35 μM and 56.26 μM, respectively. NL-1-mediated death in leukemic cells requires the activation of the autophagic pathway[1].
PPARγ-IN-2
PPARγ-IN-2 (Compound 5a) is a PPARγ inhibitor. PPARγ-IN-2 inhibits TG accumulation in 3T3-L1 preadipocytes (EC50: 0.106 μM). PPARγ-IN-2 inhibits high-cholesterol diet (HFC)-induced obesity and related metabolic syndrome, and reduces lipid accumulation in adipose tissue[1].
VU0364289
VU0364289 is a highly selective mGlu5 positive allosteric modulator (PAM) (binds to the MPEP (HY-14609A) site), with an EC50 of 1.6 μM. VU0364289 can reverse amphetamine-induced hyperlocomotion in a dose-dependent manner, which can be used for schizophrenia and other psychiatric research[1][2][3].
5-(3-amino-3-carboxypropyl)-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-8-carboxylic acid
5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
2-{2-[1-(dimethylamino)-2-phenylethyl]-1,3-oxazole-5-carbonyl}aniline
(2r,3s,5r)-5-(6-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
C15H21N5O4 (335.15934660000005)
(1r,4e,6s,7r,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1'r,2r,4s,4'r,7's)-4-methyl-4'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
(1s,13s,15s)-12,12-dimethyl-10,19,21-triazahexacyclo[13.5.2.0¹,¹³.0³,¹¹.0⁴,⁹.0¹⁵,¹⁹]docosa-3(11),4,6,8,21-pentaen-22-ol
5-{5-[(acetyloxy)methyl]-6-methyl-4-oxatricyclo[3.3.1.0²,⁷]nonan-2-yl}-2-methyl-4-oxopent-2-enimidic acid
(1r,4r,5s)-1-[(s)-(1s)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-hexyl-3-hydroxy-5-methyl-6-oxa-2-azabicyclo[3.2.0]hept-2-en-7-one
C19H29NO4 (335.20964740000005)
(1r,4e,7r,11s,17r)-4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
(4e)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
3α-(3',4',5'-trimethoxybenzoyloxy)tropane
{"Ingredient_id": "HBIN007914","Ingredient_name": "3\u03b1-(3',4',5'-trimethoxybenzoyloxy)tropane","Alias": "NA","Ingredient_formula": "C18H25NO5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21880","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
adhatodine
{"Ingredient_id": "HBIN014711","Ingredient_name": "adhatodine","Alias": "NA","Ingredient_formula": "C20H21N3O2","Ingredient_Smile": "CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "627","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(7s,8s)-8-(3-hydroxy-3-methylbutyl)-4,8-dimethoxy-5h,6h,7h-furo[2,3-b]quinolin-7-ol
8-(3-hydroxy-3-methylbutyl)-4,8-dimethoxy-5h,6h,7h-furo[2,3-b]quinolin-7-ol
(2r,3r,4s,5s)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]purin-9-yl}oxolane-3,4-diol
C15H21N5O4 (335.15934660000005)
[(7r,7as)-7-{[(2e)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2e)-2-(hydroxymethyl)but-2-enoate
10-{[2-(4-hydroxyphenyl)ethyl]imino}-2,7-dimethyl-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-trien-11-one
4-methoxy-3-methyl-6-[5-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one
C21H21NO3 (335.15213560000007)
(2e)-5-[(6s)-5-[(acetyloxy)methyl]-6-methyl-4-oxatricyclo[3.3.1.0²,⁷]nonan-2-yl]-2-methyl-4-oxopent-2-enimidic acid
(1s,4z,7s,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,4z,7r,8r,18r)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadeca-4,12-diene-3,9-dione
6-ethylidene-5-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1h-pyrazin-2-one
methyl 2-(methylamino)-5-{1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl}benzoate
[(7r,7ar)-7-[(3-methylbut-2-enoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2z)-2-(hydroxymethyl)but-2-enoate
(1s,5r,6s,7s,17s)-7-hydroxy-5,6,7-trimethyl-4-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,7ar)-7-({[(2z)-2-methylbut-2-enoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl (2z)-4-hydroxy-3-methylbut-2-enoate
(1r,12r,13s,18r)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]icosa-3,5,7,9-tetraen-16-one
(1r,4e,6s,7r,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,4z,6s,7r,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,5r,7r,8s,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadec-12-ene-3,9-dione
8-hydroxy-5,7,8-trimethyl-2,10-dioxa-18-azatricyclo[10.5.1.0¹⁵,¹⁸]octadeca-4,12-diene-3,9-dione
(1's,2s,4r,4's,7'r)-4-methyl-4'-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
(2s,3s,5e,9r)-5-(1-aminoethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
4-methyl-4'-(4-methyl-5-oxooxolan-2-yl)-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
(1s,4z,6s,7s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(3s,11as,11bs)-5-[(3s)-3-amino-3-carboxypropyl]-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
4-methoxy-3-methyl-6-[3-methyl-8-(pyridin-3-yl)octa-1,3,5,7-tetraen-1-yl]pyran-2-one
C21H21NO3 (335.15213560000007)
(1r,5s,7r,8r,18r)-5,7,8-trimethyl-2,10,19-trioxa-15-azatetracyclo[10.5.1.1⁵,⁸.0¹⁵,¹⁸]nonadec-12-ene-3,9-dione
12,13,17,17-tetramethyl-3-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹⁶,²⁰]icosa-2(10),4,6,8,16(20)-pentaen-18-ol
(7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl (2e)-2-(hydroxymethyl)but-2-enoate
(1r,2r,3r,5s)-2-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
(3s,4s,5s)-3,4-dihydroxy-5-{[(2s)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-1,3-dimethylpyrrolidin-2-one
{7-[(3-methylbut-2-enoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl}methyl 2-(hydroxymethyl)but-2-enoate
8-hydroxy-5,7,8-trimethyl-2,10-dioxa-15-azatricyclo[10.5.1.0¹⁵,¹⁸]octadeca-4,12-diene-3,9-dione
(3s,11ar,11br)-5-[(3s)-3-amino-3-carboxypropyl]-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
4,11-dimethoxy-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6-triene-3,12,13-triol
2-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl benzoate
[(7r,7ar)-7-[(3-methylbut-2-enoyl)oxy]-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2e)-2-(hydroxymethyl)but-2-enoate
3-ethyl-2-(2-hydroxyethyl)-9,10-dimethoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-8-ol
C19H29NO4 (335.20964740000005)
(1's,2r,4s,4's,7'r)-4-methyl-4'-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
(1s,12r,13r,18s)-12,13,17,17-tetramethyl-3-azapentacyclo[10.7.1.0²,¹⁰.0⁴,⁹.0¹⁶,²⁰]icosa-2(10),4,6,8,16(20)-pentaen-18-ol
(1r,4e,6s,7s,17r)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1s,4e,6s,7r,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
[(7r,7as)-7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2z)-2-(hydroxymethyl)but-2-enoate
(3s,11as,11br)-5-[(3s)-3-amino-3-carboxypropyl]-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
(4e)-8-hydroxy-5,7,8-trimethyl-2,10-dioxa-18-azatricyclo[10.5.1.0¹⁵,¹⁸]octadeca-4,12-diene-3,9-dione
methyl 2-(methylamino)-5-[(3s)-1h,2h,3h,9h-pyrrolo[2,1-b]quinazolin-3-yl]benzoate
[(7r,7ar)-7-{[(2z)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl]methyl (2e)-2-(hydroxymethyl)but-2-enoate
4-ethylidene-7-hydroxy-7-methyl-6-methylidene-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadecane-3,8-dione
2-[1-methyl-6-(2-oxo-2-phenylethyl)piperidin-2-yl]-1-phenylethanone
(1's,2s,4r,4's,7'r)-4-methyl-4'-[(2r,4s)-4-methyl-5-oxooxolan-2-yl]-11'-oxa-5'-azaspiro[oxolane-2,10'-tricyclo[5.3.1.0¹,⁵]undecan]-5-one
(2r,3r,4s,5r)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-(3-methylbut-1-en-1-yl)oxolane-3,4-diol
C15H21N5O4 (335.15934660000005)
5-{6-[(4-hydroxy-3-methylbut-2-en-1-yl)amino]purin-9-yl}-2-(hydroxymethyl)oxolan-3-ol
C15H21N5O4 (335.15934660000005)
n-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-phenylprop-2-enimidic acid
(8r,11ar,11bs)-5-[(3r)-3-amino-3-carboxypropyl]-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-8-carboxylic acid
7-{[(2-methylbut-2-enoyl)oxy]methyl}-2,3,5,7a-tetrahydro-1h-pyrrolizin-1-yl 4-hydroxy-3-methylbut-2-enoate
4,6,12-trimethoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2(7),3,5-triene-5,15-diol
(3s,11ar,11bs)-5-[(3s)-3-amino-3-carboxypropyl]-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
n-{5-[(decyloxy)carbonyl]-2-hydroxyphenyl}ethanimidic acid
C19H29NO4 (335.20964740000005)
4-(hydroxymethyl)-6-{[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol
(2e)-n-(2-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}ethyl)-3-phenylprop-2-enimidic acid
1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]icosa-3,5,7,9-tetraen-16-one
(4s,8z,11s,12e)-11-hydroxy-4,12-dimethyl-13-(2-methyl-1,3-thiazol-4-yl)trideca-8,12-dien-3-one
C19H29NO2S (335.19188940000004)
(3r)-3-[2-(dimethylamino)phenyl]-5-methoxy-1h,2h,3h-pyrrolo[2,1-b]quinazolin-9-one
(3s,4s,5s)-3,4-dihydroxy-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-1,3-dimethylpyrrolidin-2-one
3,4-dihydroxy-5-{[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-yl]methyl}-1,3-dimethylpyrrolidin-2-one
5-(3-amino-3-carboxypropyl)-1h,2h,3h,8h,9h,10h,11h,11ah,11bh-pyrido[2,1-f]1,6-naphthyridine-3-carboxylic acid
4-[2-(4-fluorophenyl)-5-(1-methylpiperidin-4-yl)-1h-pyrrol-3-yl]pyridine
(7-{[(2e)-2-methylbut-2-enoyl]oxy}-5,6,7,7a-tetrahydro-3h-pyrrolizin-1-yl)methyl (2e)-2-(hydroxymethyl)but-2-enoate
(1r,4z,6r,7r,17s)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-ene-3,8-dione
(1r,12s,13s,18r)-1,13,17,17-tetramethyl-2-azapentacyclo[10.8.0.0²,¹⁰.0³,⁸.0¹³,¹⁸]icosa-3,5,7,9-tetraen-16-one
(3z,6z)-3-ethylidene-6-{[2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}pyrazine-2,5-diol
(2e,4e,6e,8e)-n-(2-hydroxy-5-oxocyclopent-1-en-1-yl)-9-(2-methylphenyl)nona-2,4,6,8-tetraenimidic acid
C21H21NO3 (335.15213560000007)