Exact Mass: 238.1469908
Exact Mass Matches: 238.1469908
Found 500 metabolites which its exact mass value is equals to given mass value 238.1469908,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Debneyol
Debneyol is a sesquiterpenoid. Debneyol is a natural product found in Nicotiana fragrans, Nicotiana forsteri, and other organisms with data available.
Pirimicarb
CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6664; ORIGINAL_PRECURSOR_SCAN_NO 6663 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6584; ORIGINAL_PRECURSOR_SCAN_NO 6582 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6632; ORIGINAL_PRECURSOR_SCAN_NO 6631 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6671; ORIGINAL_PRECURSOR_SCAN_NO 6669 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6662; ORIGINAL_PRECURSOR_SCAN_NO 6661 CONFIDENCE standard compound; INTERNAL_ID 44; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6612; ORIGINAL_PRECURSOR_SCAN_NO 6610 C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor CONFIDENCE standard compound; EAWAG_UCHEM_ID 2711 CONFIDENCE standard compound; INTERNAL_ID 8417 CONFIDENCE standard compound; INTERNAL_ID 4039 CONFIDENCE standard compound; INTERNAL_ID 2577 D010575 - Pesticides > D007306 - Insecticides KEIO_ID P177; [MS3] KO009152 KEIO_ID P177; [MS3] KO009153 KEIO_ID P177; [MS2] KO009151 D016573 - Agrochemicals KEIO_ID P177
Agroclavine
An ergot alkaloid that is ergoline which contains a double bond between positions 8 and 9, and which is substituted by methyl groups at positions 6 and 8.
Daucol
Constituent of carrot (Daucus carota) seed oil. Daucol is found in wild carrot, root vegetables, and carrot. Daucol is found in carrot. Daucol is a constituent of carrot (Daucus carota) seed oil.
alpha-Bisabolol oxide A
Constituent of Matricaria chamomilla (German chamomile). alpha-Bisabolol oxide A is found in many foods, some of which are herbs and spices, fats and oils, tea, and german camomile. alpha-Bisabolol oxide A is found in fats and oils. alpha-Bisabolol oxide A is a constituent of Matricaria chamomilla (German chamomile). Bisabolol oxide A possesses antihyperalgesic and antiedematous effects with oral activity[1].
alpha-Bisabolol oxide B
Constituent of Matricaria chamomilla (German chamomile). alpha-Bisabolol oxide B is found in many foods, some of which are german camomile, herbs and spices, fats and oils, and tea. alpha-Bisabolol oxide B is found in fats and oils. alpha-Bisabolol oxide B is a constituent of Matricaria chamomilla (German chamomile).
Bornyl isovalerate
Bornyl isovalerate is a flavouring agent. Flavouring agent
1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid
Drimendiol
A member of the class of octahydronaphthalenes that is drimenol in which a hydrogen of the allylic methyl group has been replaced by a hydroxy group.
Secobarbital
Secobarbital is only found in individuals that have used or taken this drug. It is a barbiturate derivative drug. It possesses anaesthetic, anticonvulsant, sedative and hypnotic properties. In the United Kingdom, it was known as Quinalbarbitone. Secobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
alpha-Kessyl alcohol
Constituent of Valeriana officinalis (valerian) and other subspecies alpha-Kessyl alcohol is found in tea, fats and oils, and herbs and spices. alpha-Kessyl alcohol is found in fats and oils. alpha-Kessyl alcohol is a constituent of Valeriana officinalis (valerian) and other species.
2,10-Bisaboladiene-1,4-diol
2,10-Bisaboladiene-1,4-diol is found in herbs and spices. 2,10-Bisaboladiene-1,4-diol is a constituent of Curcuma longa (turmeric). Constituent of Curcuma longa (turmeric). 2,10-Bisaboladiene-1,4-diol is found in herbs and spices.
Geranyl valerate
Geranyl valerate is found in alcoholic beverages. Geranyl valerate is isolated from sassafras oil. Isolated from sassafras oil. Geranyl valerate is found in alcoholic beverages.
1,6,9-Farnesatriene-3,11-diol
1,6,9-Farnesatriene-3,11-diol is found in eggplant. 1,6,9-Farnesatriene-3,11-diol is a constituent of Solanum melongena (aubergine). Constituent of Solanum melongena (aubergine). 1,6,9-Farnesatriene-3,11-diol is found in fruits and eggplant.
Geranyl 3-methylbutanoate
Constituent of various plant subspecies including kumquat peel oil and lovage leaf and root. Flavouring ingredient. Geranyl 3-methylbutanoate is found in citrus, herbs and spices, and fruits. Neryl isovalerate is a constituent of numerous plant species Neryl isovalerate is a flavouring agent
Calamendiol
Constituent of the rhizomes of Acorus calamus (sweet flag). Isocalamendiol is found in herbs and spices and root vegetables. Isocalamendiol is found in herbs and spices. Isocalamendiol is a constituent of the rhizomes of Acorus calamus (sweet flag).
(3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol
(3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol is found in herbs and spices. (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol is a constituent of Curcuma longa (turmeric) Constituent of Curcuma longa (turmeric). (3S,4S,6R,7S)-1,10-Bisaboladiene-3,4-diol is found in turmeric and herbs and spices.
5(1->10)-Abeo-1,12-patchoulanediol
5(1->10)-Abeo-1,12-patchoulanediol is found in herbs and spices. 5(1->10)-Abeo-1,12-patchoulanediol is a constituent of Pogostemon cablin (patchouli). Constituent of Pogostemon cablin (patchouli). 5(1->10)-Abeo-1,12-patchoulanediol is found in herbs and spices.
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices. (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is a constituent of fennel (Foeniculum vulgare). Constituent of fennel (Foeniculum vulgare). (x)-1,2-Propanediol 1-O-b-D-glucopyranoside is found in herbs and spices.
Guaidiol
Guaidiol is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
alpha-Bisabolol oxide C
Constituent of Matricaria chamomilla (German chamomile). alpha-Bisabolol oxide C is found in many foods, some of which are herbs and spices, fats and oils, german camomile, and tea. alpha-Bisabolol oxide C is found in fats and oils. alpha-Bisabolol oxide C is a constituent of Matricaria chamomilla (German chamomile).
Tricyclohumuladiol
Tricyclohumuladiol is found in alcoholic beverages. Tricyclohumuladiol is a constituent of hop oil. Constituent of hop oil. Tricyclohumuladiol is found in alcoholic beverages and fats and oils.
Methyl (Z,Z)-5,8-tetradecadienoate
Methyl (Z,Z)-5,8-tetradecadienoate is found in pomes. Methyl (Z,Z)-5,8-tetradecadienoate is a constituent of pear volatiles. Constituent of pear volatiles. Methyl (Z,Z)-5,8-tetradecadienoate is found in pomes.
Germacrenone
Germacrenone is found in fruits. Germacrenone is a constituent of Carissa edulis (agam) Constituent of Carissa edulis (agam). Germacrenone is found in fruits.
Curcumadiol
Curcumadiol is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary)
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-pentyl-2-furanpropanoic acid, in particular, can be described by the shorthand notation 3D5. This refers to its 3-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in the fish liver.
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene
1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices. 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is isolated from parsley oil and other Petroselinum species. Isolated from parsley oil and other Petroselinum subspecies 1,2,3,4-Tetramethoxy-5-(2-propenyl)benzene is found in herbs and spices and parsley.
3beta-7-Drimene-3,11-diol
3beta-7-Drimene-3,11-diol is found in mushrooms. 3beta-7-Drimene-3,11-diol is a constituent of Marasmius oreades (fairy ring mushroom) Constituent of Marasmius oreades (fairy ring mushroom). 3beta-7-Drimene-3,11-diol is found in mushrooms.
Geranyl 2-methylbutyrate
Geranyl 2-methylbutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Linalyl isovalerate
Linalyl isovalerate is found in herbs and spices. Linalyl isovalerate is used in perfumery and food flavouring. Linalyl isovalerate is present in Salvia species e.g. sage (Salvia officinalis Linalyl isovalerate is used in perfumery and food flavouring. It is found in herbs and spices such as Salvia spp. (Salvia officinalis) also know as common sage.
beta-Kessyl alcohol
Constituent of Valeriana officinalis (valerian). beta-Kessyl alcohol is found in tea, fats and oils, and herbs and spices. beta-Kessyl alcohol is found in fats and oils. beta-Kessyl alcohol is a constituent of Valeriana officinalis (valerian)
alpha-Terpinyl pentanoate
Alpha-Terpinyl pentanoate is a flavouring agent Prob. a flavouring agent
Citronellyl trans-2-methyl-2-butenoate
Citronellyl trans-2-methyl-2-butenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
Isobornyl 2-methylbutyrate
Isobornyl 2-methylbutyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea. 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is a constituent of the essential oil Leptospermum scoparium (red tea). Constituent of the essential oil Leptospermum scoparium (red tea). 2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione is found in tea.
2-Propenyl cyclohexanehexanoate
2-Propenyl cyclohexanehexanoate is a flavouring ingredient. Flavouring ingredient
Bornyl valerate
Bornyl valerate is a flavouring agent. Flavouring agent
Isobornyl isovalerate
Isobornyl isovalerate is a flavouring agent. Flavouring agent
Geranyl acetoacetate
Geranyl acetoacetate is a flavouring ingredient. Flavouring ingredient
(2E,6E,9xi)-Farnesol
(2E,6E,9xi)-Farnesol is found in potato. (2E,6E,9xi)-Farnesol is a stress metabolite of Ipomoea batatas (sweet potato). Stress metabolite of Ipomoea batatas (sweet potato). (2E,6E,9xi)-Farnesol is found in root vegetables and potato.
Terpenyl isovalerate
Terpenyl isovalerate is a flavouring ingredient. Flavouring ingredient
10,11-Dihydrocarbamazepine
(1S,4Ar,5R,8S,8aS)-2,5-dimethyl-8-propan-2-yl-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-1,5-diol
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
4-(4-Aminophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
N,N-Dimethyl-4-(3-pyridin-4-ylprop-1-enyl)aniline
2,5-Dihydroxybisabola-3,10-diene
2,5-dihydroxybisabola-3,10-diene is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2,5-dihydroxybisabola-3,10-diene can be found in turmeric, which makes 2,5-dihydroxybisabola-3,10-diene a potential biomarker for the consumption of this food product.
Pentadecadienoic acid
Pentadecadienoic acid is also known as pentadecadienoate. Pentadecadienoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pentadecadienoic acid can be found in black walnut, which makes pentadecadienoic acid a potential biomarker for the consumption of this food product.
Potassium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent
Alismoxide
Alismoxide is a natural product found in Curcuma phaeocaulis, Curcuma zedoaria, and other organisms with data available. Alismoxide is a natural product. Alismoxide is a natural product.
(+)-Pterocarpol
Culmorin
A sesquiterpenoid fungal metabolite isolated from Fusarium culmorum. CONFIDENCE isolated standard
alpha-Corymbolol
(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
Kudtdiol
2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-6-heptene-2,3-diol
4,5,8-Trimethyl-8-(1,2-dihydroxyethyl)-9-methylenebicyclo[3.3.1]nonane
[1S-(1R*,4S*,5E,7R*)]-4-Methyl-10-methylene-7-(1-methylethyl)-5-cyclodecene-1,4-diol
Platambin
Sporothriolide
A furofuran that is (3aR,6aR)-hexahydrofuro[3,4-b]furan substituted by an oxo group at positions 2 and 4, methylene group at position 3 and by an hexyl group at position 6. It is a metabolite isolated from several species of fungi.
Nomifensine
D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors > D018765 - Dopamine Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents D049990 - Membrane Transport Modulators ORIGINAL_PRECURSOR_SCAN_NO 6773; CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6775; ORIGINAL_PRECURSOR_SCAN_NO 6773 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6814 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6815; ORIGINAL_PRECURSOR_SCAN_NO 6812 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6843; ORIGINAL_PRECURSOR_SCAN_NO 6841 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6841; ORIGINAL_PRECURSOR_SCAN_NO 6839 CONFIDENCE standard compound; INTERNAL_ID 455; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6852; ORIGINAL_PRECURSOR_SCAN_NO 6850 Nomifensine is a norepinephrine-dopamine reuptake inhibitor that blocks dopamine and norepinephrine reuptake transporters to increase the amount of norepinephrine and dopamine provided to receptors by synapses.
Pentaethylene glycol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5033; ORIGINAL_PRECURSOR_SCAN_NO 5030 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5065; ORIGINAL_PRECURSOR_SCAN_NO 5062 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6656; ORIGINAL_PRECURSOR_SCAN_NO 6654 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5078; ORIGINAL_PRECURSOR_SCAN_NO 5077 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6681; ORIGINAL_PRECURSOR_SCAN_NO 6677 CONFIDENCE standard compound; INTERNAL_ID 862; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6680; ORIGINAL_PRECURSOR_SCAN_NO 6679
(-)-heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol|(all-E)-1,7,9-Heptadecatriene-11,13,15-triyn-6-ol|heptadeca-1,7t,9t-triene-11,13,15-triyn-6-ol|trans.trans-Heptadecatrien-(1.7.9)-triin-(11.13.15)-ol-(6)
1,1,7,8-TETRAMETHYL-1,2,3,4-TETRAHYDROPHENANTHRENE
6.6-Dimethyl-5-methoxy-3-hydroxy-2-isobutyryl-cyclohexadien-(2.4)-on-(1) (Agglomeron)|Agglomeron|Agglomerone
(2E,8E,10E)-2,8,10,16-Heptadecatetraene-4,6-diyna|2,8,10,16-Heptadecatetraene-4,6-diynal|heptadeca-2t,8t,10t,16-tetraene-4,6-diynal
2-(3-Methyl-3-hydroxy-1-oxobutyl)-4-(1-hydroxyethyl)phenol
10-hydroxy-8,9-dioxyisopropylidene-thymol|9-hydroxy-8,10-isopropylendioxythymol
6alpha-acetyl-4beta,5beta-dimethyl-1(10)alpha-epoxy-7beta-hydroxydecalin|laevinol H
6alpha-acetyl-4beta,5beta-dimethyl-1(10)-ene-2alpha,7beta-dihydroxydecalin|laevinol C
(E)-2-methoxy-4-(3,4-dimethoxyphenyl)but-3-en-1-ol
(6S)-6-Isopropyl-3-methyl-9-oxo-2E,4E-decadiensaeure
13-hydroxy-rishitin|13-hydroxyrishitin|Rishitin M-1|Rishitin M1|Rislutin-M-1
(all-E)-5,7,9,15-Heptadecatetraene-11,13-diyn-4-one
(5E,7E,9Z)-5,7,9-Heptadecatriene-11,13,15-triyn-4-ol
4alpha,10beta-dihydroxy-1betaH,5alphaH-guai-6(7)-en-11-one
(+)-(7S,8R)-4-hydroxy-3,7-dimethoxy-1,2,3,4,5,6,7-heptanorlign-8-one
decyl hydrogen sulfate
An alkyl sulfate that is the sulfuric ester of decanol.
1-(2,6-dihydroxy-4-methoxy-3-methylphenyl)-1-pentanone
1-[(3S,3aR,6S,7aS)-1,3,3a,6,7,7a-hexahydro-3a,6-dihydroxy-3,7a-dimethyl-3,6-methanobenzofuran-5-yl]ethanone|cucubaldiol
1-Butanone, 3-(methylthio)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-one
1-(2,6-dihydroxy-4-methoxy-3,5-dimethylphenyl)-2-methyl-1-propanone
trans-6-(1-hydroxyethyl)-3,4-dihydroxy-2,2-dimethylchromane
2,6-Dimethyl-3-O-methyl-4-isobutyrylphloroglucinol
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
secobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators CONFIDENCE standard compound; INTERNAL_ID 2307 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8346
PIRIMICARB
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals
C14H22O3_2-Naphthalenecarboxylic acid, 3,4,4a,5,6,7,8,8a-octahydro-3-hydroxy-5,5,8a-trimethyl
3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid
1-(3-ethyl-2,4-dihydroxy-6-methoxyphenyl)butan-1-one
Metapramine
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
3-hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid_major
2,2,4,4-tetramethyl-6-propanoylcyclohexane-1,3,5-trione
Geranyl acetoacetate
A monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid.
1-(3-Ethyl-2,4-dihydroxy-6-methoxyphenyl)-1-butanone
6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
C12H22N2OSi (238.15013219999997)
5-METHYL-4-PROPOXY-1,3-PHENYLENEBISBORONIC ACID
C10H16B2O5 (238.11837859999997)
2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
tert-butyl 4-cyano-2-ethyl-3-oxopyrrolidine-1-carboxylate
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine
2-[2-(4-Chlorophenyl)ethyl]-2-(1,1-dimethylethyl)-oxirane
C14H19ClO (238.11243539999998)
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
2-CHLORO-1-(4-HEXYL-PHENYL)-ETHANONE
C14H19ClO (238.11243539999998)
1-(4-tert-butylphenyl)-4-chlorobutan-1-one
C14H19ClO (238.11243539999998)
dimethoxy-(3-methyl-3-phenylbutyl)silane
C13H22O2Si (238.13889920000003)
4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-ylamine
C12H22N2OSi (238.15013219999997)
(2-[(TERT-BUTOXYCARBONYL)AMINO]PYRIDIN-3-YL)BORONIC ACID
5-tert-Butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
tert-butyl 3-(1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
2-Amino-6-fluoro pyridine-5-boronic acid pinacol ester
C11H16BFN2O2 (238.12887980000002)
3-Fluoro-2-aminopyridine-5-boronic acid pinacol ester
C11H16BFN2O2 (238.12887980000002)
(9,9-Dimethyl-9H-fluoren-2-yl)boronic acid
C15H15BO2 (238.11650400000002)
8-METHYL-2,3-DIHYDROFURO[3,2-E]IMIDAZO-[1,2-C]PYRIMIDINE-9-CARBOXYLIC ACID
nealbarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
(9-methoxy-9-borabicyclo[3.3.2]decan-10-yl)-trimethylsilane
C13H27BOSi (238.19241219999998)
tert-Butyl (4-amino-2-methylbutan-2-yl)carbamate hydrochloride
4-(tert-Butyldimethylsiloxy)benzyl alcohol
C13H22O2Si (238.13889920000003)
tert-butyl N-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamate
Rolodine
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant
2-Methyl-5-(6-methyl-benzooxazol-2-yl)-phenylamine
1-(4-CHLORO-PHENYL)-2-PYRROLIDIN-1-YL-ETHYL]-METHYL-AMINE
C13H19ClN2 (238.12366839999999)
N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-2-PYRIDIN-2-YL-ACETAMIDE
Ethyl 2-(4-hydroxy-2-methylphenoxy)-2-methylpropanoate
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
C12H22N2OSi (238.15013219999997)
2,2-dimethylpropane-1,3-diyl cyclohex-4-ene-1,2-dicarboxylate
2-(4-chlorophenyl)-2-piperidin-1-ylethanamine
C13H19ClN2 (238.12366839999999)
tert-butyl 2-methoxy-4,6-dimethylpyrimidine-5-carboxylate
4-Fluoro-3-hydroxyphenylboronic acid pinacol ester
C12H16BFO3 (238.11764680000002)
Acetonitrile,(p-aminophenyl)(p-methoxyphenyl)- (7CI,8CI)
N-(4-AMINOBUTYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER-HCl
2,2-Methylenebis(4-isopropyl-4,5-dihydro-1,3-oxazole)
(7S)-7-Amino-5,7-dihydro-5-methyl-6H-dibenz[b,d]azepin-6-one
3-chloro-4-(N-cyclohexyl-N-methylamino)aniline
C13H19ClN2 (238.12366839999999)
TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
(4-((TERT-BUTOXYCARBONYL)AMINO)PYRIDIN-3-YL)BORONIC ACID
1-(1-PHENYLCYCLOPROPYL)PIPERAZINE HYDROCHLORIDE
C13H19ClN2 (238.12366839999999)
[6-[(tert-Butoxycarbonyl)amino]pyridin-3-yl]boronic acid
4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
(2Z,4E,6S)-6-Isopropyl-3-methyl-9-oxo-2,4-decadienoic acid
(2E,6ξ,7E)-6-Isopropyl-3-methyl-9-oxo-2,4-decadienoic acid
(9,9-dimethyl-9H-fluoren-4-yl)boronic acid
C15H15BO2 (238.11650400000002)
(S)-(2-methoxyphenyl)((tetrahydro-2H-pyran-4-yl)oxy)methanol
1H-Indole,2,3-dihydro-7-(1-methylethyl)-2-(3-pyridinyl)-(9CI)
ALPHA-METHYL-N-PHENYL-1H-BENZOTRIAZOLE-1-METHANAMINE
4-(5-ETHYL-2-METHOXY-PHENYL)-4-HYDROXY-BUTYRIC ACID
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 2-propen-1-yl ester
6-(5,6-dimethyl-1,3-dihydrobenzoimidazol-2-ylidene)cyclohexa-2,4-dien-1-one
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]isoxazole-3-carboxylic acid
5-Fluoro-2-hydroxyphenylboronic acid, pinacol ester
C12H16BFO3 (238.11764680000002)
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
C12H16BFO3 (238.11764680000002)
2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOL-1-YL)ETHANOL
tert-butyl3-(4-amino-1H-pyrazol-1-yl)azetidine-1-carboxylate
1-[1-(2,3-dimethylphenyl)ethyl]-2,3-dimethylbenzene
1-(3-(4-chlorophenyl)propyl)piperazine
C13H19ClN2 (238.12366839999999)
tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
4-(4-ETHOXY-3-METHYL-PHENYL)-4-HYDROXY-BUTYRIC ACID
Semaxanib
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D006133 - Growth Substances > D043924 - Angiogenesis Modulating Agents D000970 - Antineoplastic Agents > D020533 - Angiogenesis Inhibitors D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D006133 - Growth Substances > D006131 - Growth Inhibitors
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
PhiKan 083 is a carbazole derivative, which binds to the surface cavity and stabilizes Y220C (a p53 mutant), with a Kd of 167 μM. PhiKan 083 can be used for cancer research[1].
(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
N-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-, ethyl ester
Benzeneacetic acid, 4-methoxy-, trimethylsilyl ester
Acetic acid, [p-(trimethylsiloxy)phenyl]-, methyl ester
Acetic acid, phenyl(trimethylsiloxy)-, methyl ester
Acetic acid, (m-methoxyphenyl)-, trimethylsilyl ester
1-(5-Methoxy-2-[(trimethylsilyl)oxy]phenyl)ethanone
Acetic acid, [m-(trimethylsiloxy)phenyl]-, methyl ester
4-(Acetylamino)-3-[(diaminomethyl)amino]benzoic acid
Proxyphylline
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DA - Xanthines D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1]. Proxyphylline is a methylxanthine derivative used as a cardiac stimulant, vasodilator and bronchodilator[1].
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium
hydrogen (1S)-1-[(2S)-2-amino-4-methylpentanamido]ethylphosphonate
C8H19N2O4P (238.10823839999998)
(2aS,3S,4aR,7aR,7bS)-3-hydroxy-6-(hydroxymethyl)-3,6-dimethyl-1,2,2a,4a,5,7,7a,7b-octahydrocyclobuta[e]inden-4-one
[(1S)-1-(L-Leucylamino)ethyl]phosphonic acid
C8H19N2O4P (238.10823839999998)
[(2S,3S,4R,5R)-3,4,5,6-Tetrahydroxyhexan-2-yl] 2-hydroxypropanoate
5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine
2,5-Dimethyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinamine
2-Chloro-1-(4-isopropylphenyl)-3-methyl-1-butanone
C14H19ClO (238.11243539999998)
N-[4-[3-(hydroxymethyl)-1-piperidinyl]but-2-ynyl]-N-methylacetamide
4-[dimethylamino(oxo)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide
3-Methoxy-6-methyl-5-(3-methylbut-2-en-1-yl)benzene-1,2,4-triol
anisotanol B
A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus.
anisotanol C
A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus and displays antiangiogenic activity by inhibiting the viability, migration, and tube formation in HUVECs.
anisotanol D
A norsesquiterpenoid with formula C14H22O3. It is isolated from Anisodus tanguticus.
(2E,4E,6R,8Z)-6-hydroxytetradeca-2,4,8-trienoic acid
1,2-DI-Tert-butyl-1,2-difluoro-1,2-dimethyldisilane
C10H24F2Si2 (238.13845279999998)
3-(4-Hydroxyphenyl)propionic acid, trimethylsilyl ester
Bicyclo[3.2.0]heptan-2-one, 5-methyl-6-trimethylsilyloxy-6-vinyl-
C13H22O2Si (238.13889920000003)
1-Trimethylsilyloxy-4-butoxybenzene
C13H22O2Si (238.13889920000003)
2-(Trimethylsilylmethyl)benzaldehyde dimethyl acetal
C13H22O2Si (238.13889920000003)
(S)-N-Tert-butoxycarbonyl-2-(1-pyrrolin-2-YL)pyrrolidine
6,6-Dimethyl-8alpha-(1-oxoethyl)-1alpha,5alpha-bicyclo(3.3.0)octan-2-one ethylene acetal
3-Methyl-1-(trimethylsilylmethyl)spiro[3.5]nonan-5-one
3-(2-Methyl-1-trimethylsilylmethyl-2-propenyl)cyclohexan-1-one
4-(Trimethylsilylmethyl)cyclohex-3-enecarboxaldehyde dimethylhydrazone
9,17-Dioxo-1,2,3,4,10,19-hexanorandrostan-5-oic acid
A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5, a methyl substituent at position 7a and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).