Exact Mass: 238.1596
Exact Mass Matches: 238.1596
Found 500 metabolites which its exact mass value is equals to given mass value 238.1596,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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.
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
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.
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.
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-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
(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.
4-(4-Aminophenyl)-5,6,7,8-tetrahydronaphthalen-1-amine
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
alpha-Corymbolol
(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
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
beta-Chenopodiol
4-Hydroxydihydroagarofuran
[2R-(2alpha,4aalpha,5alpha,8abeta)]-Decahydro-5-hydroxy-a,a,4a-trimethyl-8-methylene-2-naphthalenemethanol
[1S-(1R*,4Z,6R*,11S*)]-4,7,7,11-Tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-ol
[1R-[1alpha,1(S*),4alpha]]-1-(1,5-Dimethyl-4-hexenyl)-4-methyl-2-cyclohexene-1,4-diol
2-(1,4,4a,5,6,7,8,8a-Octahydro-4a,8-dimethyl-2-naphthalenyl)-1,2-propanediol
(2alpha,3beta,6alpha)-6-Ethenyltetrahydro-2,6-dimethyl-2-(4-methyl-3-pentenyl)-2H-pyran-3-ol
[1R-(1R*,2E,4R*,7E)]-4-Hydroxy-alpha,alpha,4,8-tetramethyl-2,7-cyclodecadiene-1-methanol
1,5,8,8-Tetramethyl-8-bicyclo[8.1.0]undecene-2,9-diol
[S-(R*,R*)]-alpha4-Methyl-alpha4-(4-methyl-3-pentenyl)-1-cyclohexene-1,4-dimethanol
4-Hydroxymethyl-1,1,7-trimethyldecahydro-1H-cycloprop[e]azulen-4-ol
alpha-Chenopodiol
4,11,11-Trimethyltricyclo[6.3.1.02.5]dodecane-6,8-diol
[1S-[1alpha,1(R*),4a]]-1-(1,5-Dimethyl-4-hexenyl)-4-methyl-2-cyclohexene-1,4-diol
Oplodiol
Oplodiol is a carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positions 1 and 4a (the 1S,4R,4aR,8aR isomer). A sesquiterpenoid plant metabolite. It has a role as a plant metabolite. It is a tertiary alcohol, a secondary alcohol, a carbobicyclic compound, a sesquiterpenoid and a member of octahydronaphthalenes. Oplodiol is a natural product found in Hedychium spicatum, Schisandra plena, and other organisms with data available. A carbobicyclic compound that is 1,2,3,4,4a,5,8,8a-octahydronaphthalene which is substituted by hydroxy groups at positions 1 and 4, an isoopropyl group at position 7, and by methyl groups at positions 1 and 4a (the 1S,4R,4aR,8aR isomer). A sesquiterpenoid plant metabolite.
ent-4beta,10alpha-Dihydroxyaromadendrane
A natural product found in Porella chilensis and Plagiochila ovalifolia.
(Z,E)-2,6,10-trimethyl-2,6,11-Dodecatriene-1,10-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 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
[2-(hydroxymethyl)-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methanol
1a,4a,7,7-Tetramethyldecahydro-1H-cycloprop[e]azulene-2,5-diol
(-)-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)
5-eudesmene-1beta,4alpha-diol|eudesm-5-ene-1beta,4alpha-diol
7-hydroxymethyl-1-isopropyl-3a-methyl-1,2,3,3a,4,5,6,8a-octahydroazulen-4-ol|isodauc-6-ene-10beta,14-diol
1,1,7,8-TETRAMETHYL-1,2,3,4-TETRAHYDROPHENANTHRENE
11-eudesmene-1beta,4alpha-diol|1beta,4alpha-dihydroxyeudesman-11-ene|1??,4??-Dihydroxyeudesman-11-ene|cyperusol C
2-methyl-2E,4E-tetradecadienoic acid|rubiginosic acid
opposit-4(15)-en-1beta,11-diol|opposit-4(15)-ene-1beta,11-diol|Opposit-4(15)-ene-1??,11-diol|oppsit-4(15)-ene-1beta,11-diol
(E)-7alphaH-germacra-1(10),4(15)-diene-5alpha,6beta-diol
4-Isopropyl-1-methyl-6-methylenedecahydronaphthalene-1,4-diol
(9S)-africanane-9,15-diol|(9S)-africanene-9,15-diol|9alpha,15-dihydroxyafricanane
(1R*,3aS*,4R*,7S*,8aR*)-decahydro-7-(3-hydroxyprop-1-en-2-yl)-1,4-dimethylazulen-4-ol|xylaranol A
2-[(1R*,3aS*,8aR*,E)-6-(hydroxymethyl)-3a-methyl-1,2,3,3a,4,5,8,8a-octahydroazulen-1-yl]propan-2-ol|schisanwilsonene A
3,8-Dimethyl-5-isopropyl-5,8-epoxydecahydroazulene-4-ol
(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
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
(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
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
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
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
Geranyl acetoacetate
A monoterpenoid that is the carboxylic ester obtained by the formal condensation of geraniol with acetoacetic acid.
6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
tert-butyl 4-cyano-2-ethyl-3-oxopyrrolidine-1-carboxylate
3-N-[2-(dimethylamino)ethyl]-3-N-methyl-2-nitrobenzene-1,3-diamine
tert-butyl 3-(3-amino-1H-pyrazol-5-yl)azetidine-1-carboxylate
4-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-2-ylamine
tert-butyl 3-(1,2-oxazol-5-yl)pyrrolidine-1-carboxylate
2-Amino-6-fluoro pyridine-5-boronic acid pinacol ester
3-Fluoro-2-aminopyridine-5-boronic acid pinacol ester
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
tert-Butyl (4-amino-2-methylbutan-2-yl)carbamate hydrochloride
tert-butyl N-[(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]carbamate
N-(2,2-DIMETHOXY-ETHYL)-N-METHYL-2-PYRIDIN-2-YL-ACETAMIDE
5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridin-2-amine
tert-butyl 2-methoxy-4,6-dimethylpyrimidine-5-carboxylate
N-(4-AMINOBUTYL)-N-METHYL CARBAMIC ACID TERT-BUTYL ESTER-HCl
2,2-Methylenebis(4-isopropyl-4,5-dihydro-1,3-oxazole)
TERT-BUTYL 3-AMINO-6,7-DIHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE-5(4H)-CARBOXYLATE
(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
1H-Indole,2,3-dihydro-7-(1-methylethyl)-2-(3-pyridinyl)-(9CI)
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 2-propen-1-yl ester
5-methyl-4-[(4-methylpiperidin-1-yl)methyl]isoxazole-3-carboxylic acid
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
tert-butyl 4-cyano-2,2-dimethyl-3-oxopyrrolidine-1-carboxylate
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].
4H-Pyrido[1,2-a]pyrimidine-3-carboxylic acid, 1,6,7,8,9,9a-hexahydro-6-methyl-4-oxo-, ethyl ester
1-Benzyl-2-methyl-1,2,3,4-tetrahydroisoquinolinium
(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
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
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
Bicyclo[3.2.0]heptan-2-one, 5-methyl-6-trimethylsilyloxy-6-vinyl-
2-(Trimethylsilylmethyl)benzaldehyde dimethyl acetal
(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
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate
3-(6-hydroxy-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)propanoic acid
1-[(1ar,4r,4ar,5s,6s,8as)-6-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl]ethanone
1-(4,8-dihydroxy-4a,8-dimethyl-1,4,5,6,7,8a-hexahydronaphthalen-2-yl)ethanone
(2s,7r)-4,6-dimethyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),3,9,12,14-pentaene
1-{6-hydroxy-4,4a-dimethyl-octahydronaphtho[4,4a-b]oxiren-5-yl}ethanone
(1r,3s,4s,5r)-5-[(1e,3e,5e)-hepta-1,3,5-trien-1-yl]-4-(hydroxymethyl)cyclohexane-1,3-diol
4-hydroxy-3-methyl-6-[(5s)-5-methylheptyl]pyran-2-one
(6r,7e,9e)-heptadeca-1,7,9-trien-11,13,15-triyn-6-ol
(4s,5s,6r)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one
(2e,4e,6s)-6-isopropyl-3-methyl-9-oxodeca-2,4-dienoic acid
1,7,9-heptadecatriene-11,13,15-triyn-6-ol; (all-e)-form
{"Ingredient_id": "HBIN001979","Ingredient_name": "1,7,9-heptadecatriene-11,13,15-triyn-6-ol; (all-e)-form","Alias": "NA","Ingredient_formula": "C17H18O","Ingredient_Smile": "NA","Ingredient_weight": "238.32","OB_score": "NA","CAS_id": "16697-23-7","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9479","PubChem_id": "NA","DrugBank_id": "NA"}
(4S,5S,6R)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one
{"Ingredient_id": "HBIN010899","Ingredient_name": "(4S,5S,6R)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one","Alias": "(4S,5S,6R)-5,6-dihydroxy-6-methyl-4-propan-2-yl-2,3,4,5,7,8-hexahydronaphthalen-1-one","Ingredient_formula": "C14H22O3","Ingredient_Smile": "NA","Ingredient_weight": "238.32","OB_score": "38.51146147","CAS_id": "363610-30-4","SymMap_id": "SMIT10490","TCMID_id": "NA","TCMSP_id": "MOL009347","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
