Exact Mass: 238.1357578
Exact Mass Matches: 238.1357578
Found 500 metabolites which its exact mass value is equals to given mass value 238.1357578,
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.
1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid
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
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.
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.
Geranyl acetoacetate
Geranyl acetoacetate is a flavouring ingredient. Flavouring ingredient
10,11-Dihydrocarbamazepine
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
Potassium dodecanoate
It is used in foods as a binder, emulsifier and anticaking agent
(1S,2S)-3-Oxo-2[(2Z)-pentenyl]cyclopentane-1-butyric acid
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)
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
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
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
(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
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-(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
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].
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
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
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)
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)
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)
6,6-Dimethyl-8alpha-(1-oxoethyl)-1alpha,5alpha-bicyclo(3.3.0)octan-2-one ethylene acetal
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).
(2Z)-3,7-dimethylocta-2,6-dien-1-yl 3-oxobutanoate
2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione
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
3-hydroxy-2,7-bis(prop-1-en-1-yl)-hexahydrofuro[3,4-b]pyran-5-one
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-[(1s,3s,6s,7r)-1,7-dihydroxy-3,6-dimethyl-4-oxatricyclo[4.3.1.0³,⁷]dec-8-en-9-yl]ethanone
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
3-(1,2-dihydroxybut-3-en-1-yl)-4-(pent-1-en-1-yl)-5h-furan-2-one
(6r,7e,9e)-heptadeca-1,7,9-trien-11,13,15-triyn-6-ol
2-hydroxy-3-methyl-6-[(2s,4s)-4-methyl-3-oxohexan-2-yl]pyran-4-one
(4s,5s,6r)-5,6-dihydroxy-4-isopropyl-6-methyl-2,3,4,5,7,8-hexahydronaphthalen-1-one
(2r,3e)-4-(3,4-dimethoxyphenyl)-2-methoxybut-3-en-1-ol
(2r,3s)-3-(3,5-dihydroxy-2-methylphenyl)butan-2-yl acetate
3-[(1s,2s)-1,2-dihydroxybut-3-en-1-yl]-4-[(1e)-pent-1-en-1-yl]-5h-furan-2-one
(2e,4e,6s)-6-isopropyl-3-methyl-9-oxodeca-2,4-dienoic acid
6-ethyl-5-hydroxy-3-(methoxymethyl)-5,6,7,8-tetrahydrochromen-4-one
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"}