Exact Mass: 240.166
Exact Mass Matches: 240.166
Found 500 metabolites which its exact mass value is equals to given mass value 240.166,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pirbuterol
Pirbuterol is a beta-2 adrenergic bronchodilator. In vitro studies and in vivo pharmacologic studies have demonstrated that pirbuterol has a preferential effect on beta-2 Adrenergic receptors compared with isoproterenol. While it is recognized that beta-2 adrenergic receptors are the predominant receptors in bronchial smooth muscle, data indicate that there is a population of beta-2 receptors in the human heart, existing in a concentration between 10-50\\%. The precise function of these receptors has not been established. The pharmacologic effects of beta adrenergic agonist drugs, including pirbuterol, are at least in proof attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (AlP) to cyclic-3†,5†-adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
Proximadiol
Ameltolide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent Same as: D02892
Festuclavine
An alkaloid that is the 6,8beta-dimethyl derivative of ergoline.
7-Epi-ent-eudesmane-5,11-diol
A carbobicyclic compound that is decahydronaphthalene substituted at positions 2, 4a, 8 and 8a by 2-hydroxypropan-2-yl, methyl, methyl and hydroxy groups, respectively. The (3R,4aS,5S,8aS) stereoisomer.
Exaltolide
Cyclopentadecanolide is a macrolide. Oxacyclohexadecan-2-one is a natural product found in Lonicera japonica and Angelica archangelica with data available. Constituent of angelica root oil (Angelica archangelica). Flavouring agent. Exaltolide is found in fats and oils, herbs and spices, and green vegetables. Exaltolide is found in fats and oils. Exaltolide is a constituent of angelica root oil (Angelica archangelica). Exaltolide is a flavouring agent ω-Pentadecalactone is a fragrance ingredient. ω-Pentadecalactone is a member of the fragrance structural group macrocyclic lactone and lactide derivative[1]. ω-Pentadecalactone is a fragrance ingredient. ω-Pentadecalactone is a member of the fragrance structural group macrocyclic lactone and lactide derivative[1].
Pheniramine
Pheniramine is only found in individuals that have used or taken this drug. It is one of the histamine H1 antagonists with little sedative action. It is used in treatment of hay fever, rhinitis, allergic dermatoses, and pruritus. [PubChem]Antihistamines such as pheniramine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. Antihistamines suppress the histamine-induced wheal (swelling) and flare (vasodilation) response by blocking the binding of histamine to its receptors on nerves, vascular smooth muscle, glandular cells, endothelium, and mast cells. They effectively exert competitive antagonism of histamine for H1-receptors. D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Auberganol
Auberganol is found in fruits. Auberganol is a constituent of Solanum melongena (aubergine). Constituent of Solanum melongena (aubergine). Auberganol is found in fruits and eggplant.
L-Gizzerosine
L-Gizzerosine is isolated from mackerel meal. L-Gizzerosine is produced as a contaminant during fish meal manufacturing by reaction between histidine and protein in the fish meat. Causes gizzard erosion ("black vomit") in chicks. Isolated from mackerel meal. Production as a contaminant during fish meal manufacturing by reaction between histidine and protein in the fish meat. Causes gizzard erosion ("black vomit") in chicks
Citronellyl isovalerate
Citronellyl isovalerate is used in food flavouring. It is used in food flavouring
9-Pentadecenoic acid
9-Pentadecenoic acid is found in fats and oils. 9-Pentadecenoic acid occurs in animal fa Occurs in animal fat. 9-Pentadecenoic acid is found in fats and oils.
15,5-Farnesanolide
15,5-Farnesanolide is found in fruits. 15,5-Farnesanolide is a constituent of Mangifera indica (mango). Constituent of Mangifera indica (mango). 15,5-Farnesanolide is found in fruits.
Menthyl isovalerate
Menthyl isovalerate is found in peppermint. Menthyl isovalerate is a flavouring ingredient with a bitter, wood-like taste. Flavouring ingredient with a bitter, wood-like taste. Menthyl isovalerate is found in peppermint.
Imiquimod
Imiquimod is an immune response modifier that acts as a toll-like receptor 7 agonist. Imiquimod is commonly used topically to treat warts on the skin of the genital and anal areas. Imiquimod does not cure warts, and new warts may appear during treatment. Imiquimod does not fight the viruses that cause warts directly, however, it does help to relieve and control wart production. miquimod is also used to treat a skin condition of the face and scalp called actinic keratoses and certain types of skin cancer called superficial basal cell carcinoma. D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D007155 - Immunologic Factors > D007369 - Interferon Inducers D000970 - Antineoplastic Agents C274 - Antineoplastic Agent
Isobutyl 10-undecenoate
Isobutyl 10-undecenoate 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 .
L-Menthyl acetoacetate
L-Menthyl acetoacetate 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 .
Butyl undecylenate
Butyl 10-undecenoate is a flavouring ingredient. Flavouring ingredient
Rhodinyl isovalerate
Rhodinyl isovalerate is a flavouring ingredient. Flavouring ingredient
Citronellyl pentanoate
Citronellyl pentanoate is found in herbs and spices. Citronellyl pentanoate is a flavouring ingredient. Citronellyl pentanoate is a constituent of Boronia citriodora essence. Flavouring ingredient. Constituent of Boronia citriodora essence. Citronellyl pentanoate is found in herbs and spices.
Bicyclo[2.2.1]heptan-2-one, 1,7,7-trimethyl-3-(phenylmethylene)-
3,3',5,5'-Tetramethylbenzidine
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents
3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime
Pentadecenoic acid
Pentadecenoic acid, also known as pentadecenoate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Pentadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pentadecenoic acid can be found in black elderberry, black walnut, and common buckwheat, which makes pentadecenoic acid a potential biomarker for the consumption of these food products.
Menthyl valerate
Menthyl valerate, also known as menthyl valeric acid, is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthyl valerate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Menthyl valerate is a mild, sweet, and fruity tasting compound found in orange mint and peppermint, which makes menthyl valerate a potential biomarker for the consumption of these food products.
(-)-10-epi-5beta,11-Dihydroxyeudesmane
N,N-Dimethylcarbanilide
CONFIDENCE standard compound; INTERNAL_ID 33
(1alpha,4alpha)-4-[(R)-1,5-Dimethyl-3-oxohexyl]cyclohexanemethanol
(2E,4S,6S,8S)-2,4,6,8-tetramethyl-2-undecenoic acid
trans-9-hydroxy-3-methyl-8-oxo-dodec-trans-6-en-4-olide
11,12-dihydro-12-hydroxyrishitin|11,12-dihydro-13-hydroxyrishitin
heptadeca-1,9t-diene-11,13,15-triyn-8-ol|trans-Heptadecadien-(1.9)-triin-(11.13.15)-ol-(8)
spiro[1,2,3,4-tetrahydrobeta-carboline-1,1-cyclohexane]
(5E,7E,9Z,15E)-5,7,9,15-Heptadecatetraene-11,13-diyn-4-ol
(1R,2S,8aS)-5,5,8a-trimethyl-1-(2-hydroxyethyl)-2-hydroxy-trans-perhydronaphthalene|(1R,2S,8aS)-5,5,8a-trimethyl-2-hydroxy-1-(2-hydroethyl)-trans-decalin|13,14,15,16,17-pentanorlabdane-8beta,12-diol|13,14,15,16,17-pentanorlabdane-8beta-12-diol|13,14,15,16,20-Pentanorlabdane-8beta,12-diol
(-)-12-hydroxyjasmonic acid methyl ester|(-)-methyl 12-hydroxyjasmonate|(1R,2R)-Methyl-5-hydroxyjasmonate|5-hydroxyjasmonic acid methyl ester|methyl (1R,2R)-5-hydroxyjasmonate|methyl (1S,2R,2Z)-2-(5-hydroxy-2-pentenyl)-3-oxo-cyclopentaneacetate
7,8-Epoxide-(E,E,E)-1,7,9,15-Heptadecatetraene-11,13-diyne|hepta-deca-1,9E,15E-trien-11,13-diyn-7,8-epoxide
6-Norsetoclavine|8-methyl-9,10-didehydro-ergolin-8-ol|Norsetoclavin|norsetoclavine
(all-E)-1,7,9,15-Heptadecatetraene-11,13-diyn-6-ol
(R)-4-isopropenyl-3-methoxy-1-(3-methyl-2-oxo-butyl)-imidazolidin-2-one|Alchorneinon|Alchorneinone
(2beta,3beta,5alpha,6alpha,7E)-5,6-Epoxy-2,3-dihydroxy-7-megastigmen-9-one
(5E,10S)-7-isopropyl-4-methyleneundec-5-ene-1,10-diol|tricindiol
(3R)-heptadeca-1,9(Z),11(Z),16-tetraene-4,6-diyne-3-ol|didehydrofalcarinol
11-Hydroxy-5-nor-4,5-seco-4,6-amorphanedione|3-methyl-6-(1-hydroxy-1-methylethyl)-2-(3-oxobutyl)cyclohexanone
7,9,15-Heptodecatriene-11,13-diynal|heptadeca-7t,9t,15t-triene-11,13-diynal
5-[4-(1-Hydroxy-1-methylethyl)-1-cyclohexenyl]-2-methylpentan-1-ol
(1R,5S,6S,7S,10R)-1beta,6alpha-dihydroxyeudesman-4-one|(1R,5S,6S,7S,10R)-1??,6??-Dihydroxyeudesman-4-one|1beta,6alpha-dihydroxy-10beta-methyl-5alphaH,5alphaH-eudesm-4-one|1beta,6alpha-dihydroxy-10beta-methyl-5alphaH,7alphaH-eudesm-4-one
2-methylidenepropane-1,3-diyl 1-((Z)-2-methyl-2-butenoate) 3-isobutyrate
1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-methyl-1-(2-methyl-2-propenyl)-
(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro<4.4>nonanol-9|(1RS,9RS)-3-hydroxymethyl-8Z-(2E-pentenyliden)-2,6-dioxa-spiro[4.4]nonanol-9|9-Hydroxy-8-(2-pentenylidene)-1,6-dioxaspiro[4,4]nonane-2-methanol
(E)-1,8,16-Heptadecatriene-4,6-diyn-3-one|heptadeca-1,8t,16-triene-4,6-diyn-3-one
N-(4-Acetylamino-butyl)-N-(3-methyl-but-2-enyl)-guanidin|N-(4-acetylamino-butyl)-N-(3-methyl-but-2-enyl)-guanidine|Smirnovin|smirnovine
methyl (2Z,4E)-3-methoxycarbonyl-2-methyl-2,4-nonadienoate
(E)-4-((rel-3R,4S,6R)-4-hydroxy-4-methyl-6-(2-oxopropyl)-tetrahydro-2H-pyran-3-yl)but-3-en-2-one|quamopyran
(6S,7R,8R,9S)-6-oxaspiro-7,8-dihydroxymegastigman-4-en-3-one|tubiflorone
6-hexyl-3-methyl-(3S,3aS,6R,6aR)-perhydrofuro[3,4-b]furan-2,4-dione
(all-E)-1,4,8,10,16-Heptadecapentaen-6-yn-3-one|heptadeca-1,4t,8t,10t,16-pentaen-6-yn-3-one|Heptadeca-pentaen-(1,4t,8t,10t,16)-in-(6)-on-(3)
(2E,8E,10E)-heptadeca-2,8,10-triene-4,6-diyn-1-al|all-trans-Heptadecatrien-(2.8.10)-diin-(4.6)-al|enanthetal|heptadeca-2t,8t,10t-triene-4,6-diynal|oenanthetal
1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene
1, 2-Dihydroxy-Flavacol|1-hydroxy-6-(2-hydroxy-2-methyl-propyl)-3-isobutyl-1H-pyrazin-2-one|beta-Hydroxyneoaspergillinsaeure
enanthetone|Heptadeca-7t,9t,15t-trien-11,13-diin-4-on|heptadeca-7t,9t,15t-triene-11,13-diyn-4-one|Oenantheton|oenanthetone
pheniramine
D - Dermatologicals > D04 - Antipruritics, incl. antihistamines, anesthetics, etc. > D04A - Antipruritics, incl. antihistamines, anesthetics, etc. > D04AA - Antihistamines for topical use R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use > R06AB - Substituted alkylamines D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents CONFIDENCE Parent Substance with Reference Standard (Level 1); INTERNAL_ID 1500 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3005 EAWAG_UCHEM_ID 3005; CONFIDENCE standard compound
imiquimod
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BB - Antivirals C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D007155 - Immunologic Factors > D007369 - Interferon Inducers D000970 - Antineoplastic Agents C274 - Antineoplastic Agent
NPE_241.1335_10.3
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1108
NPE_241.1335_10.8
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1113
diethyldiallylmalonate
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1054
Tetramethylbenzidine
CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7009; ORIGINAL_PRECURSOR_SCAN_NO 7004 D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D002863 - Chromogenic Compounds D004396 - Coloring Agents CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7044; ORIGINAL_PRECURSOR_SCAN_NO 7042 CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7048; ORIGINAL_PRECURSOR_SCAN_NO 7044 CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7061; ORIGINAL_PRECURSOR_SCAN_NO 7059 CONFIDENCE standard compound; INTERNAL_ID 875; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7072; ORIGINAL_PRECURSOR_SCAN_NO 7068
1,3-Dicyclohexylthiourea
CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4855; ORIGINAL_PRECURSOR_SCAN_NO 4853 ORIGINAL_PRECURSOR_SCAN_NO 4862; CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4865 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4865; ORIGINAL_PRECURSOR_SCAN_NO 4862 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4831; ORIGINAL_PRECURSOR_SCAN_NO 4829 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4850; ORIGINAL_PRECURSOR_SCAN_NO 4849 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4407; ORIGINAL_PRECURSOR_SCAN_NO 4405 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4893; ORIGINAL_PRECURSOR_SCAN_NO 4892 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9318 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9333; ORIGINAL_PRECURSOR_SCAN_NO 9331 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9365; ORIGINAL_PRECURSOR_SCAN_NO 9363 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9377; ORIGINAL_PRECURSOR_SCAN_NO 9376 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9313; ORIGINAL_PRECURSOR_SCAN_NO 9311 CONFIDENCE standard compound; INTERNAL_ID 1188; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9391; ORIGINAL_PRECURSOR_SCAN_NO 9390
TMB (hydrochloride hydrate)
tert-Butyl 2,7-diazaspiro[4.5]decane-7-carboxylate
tetrabarbital
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
2-[1-(2-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID
8-(P-TOLYL)-2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE
METHYL 7-(3-HYDROXY-5-OXOCYCLOPENT-1-EN-1-YL)HEPTANOATE
tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
2-Methyl-2-propanyl 4-cyano-4-methoxy-1-piperidinecarboxylate
3-Benzylidene camphor
D020011 - Protective Agents > D011837 - Radiation-Protective Agents > D013473 - Sunscreening Agents D003879 - Dermatologic Agents D003358 - Cosmetics
lithium,2-[(4-methylpiperazin-1-yl)methyl]benzoate
1-TERT-BUTOXYCARBONYL-4-(CYCLOPROPYLAMINO)PIPERIDINE
3-(4-hydroxypiperidine-1-carbonyl)piperidine-1-carbaldehyde
3-(2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-4-yl)phenol
tert-Butyl 1-oxo-2,7-diazaspiro[3.5]nonane-7-carboxylate
METHYL (R)-(+)-3-HYDROXY-5-OXO-1-CYCLOPENTENE-1-HEPTANOATE
tert-Butyl 1-(aminomethyl)-6-azaspiro[2.5]octane-6-carboxylate
6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione
tert-butyl 3-piperidin-2-ylazetidine-1-carboxylate
2-{1-[(5-METHYL-2-FURYL)METHYL]-3-OXO-2-PIPERAZINYL}ACETIC ACID
Tert-butyl octahydro-2,7-naphthyridine-2(1H)-carboxylate
3-Piperidin-4-yl-azetidine-1-carboxylic acid tert-butyl ester
3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butanenitrile
Ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-imidazole-5-carboxylate
6-benzyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2(1H)-one
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]pyridin-3-amine
3-CYCLOPROPYLAMINOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
3-(ISOPROPYLAMINO-METHYL)-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-METHYL-4-(1,4-DIOXASPIRO[4.5]DECAN-8-YL)PIPERAZINE
5,5-dimethyl-2-naphthalen-1-yl-1,3,2-dioxaborinane
tert-Butyl 4-(azetidin-1-yl)piperidine-1-carboxylate
tert-Butyl 4-(cyanomethyl)-4-hydroxypiperidine-1-carboxylate
6-Benzyl-5,6,7,8-tetrahydro-2,6-naphthyridin-1(2H)-one
tert-butyl 1,9-diazaspiro[4.5]decane-1-carboxylate
TRANS,TRANS-1-CHLORO-3,7,11-TRIMETHYL-2,6,10-DODECATRIENE
(S)-TERT-BUTYL (1-(5-FLUOROPYRIDIN-2-YL)ETHYL)CARBAMATE
tert-butyl 1,7-diazaspiro[4.5]decane-1-carboxylate
(S)-(-)-1-Methyl-2-(1-naphthylaminomethyl)pyrrolidine
1-ACETYL-1,2,3,4-TETRAHYDRO-QUINOLINE-6-SULFONYL CHLORIDE
TERT-BUTYL 2-AMINO-7-AZASPIRO[3.5]NONANE-7-CARBOXYLATE
1,8-Diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester
tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
6,9-DIAZA-SPIRO[4.5]DECANE-9-CARBOXYLIC ACID TERT-BUTYL ESTER
tert-Butyl exo-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
tert-butyl N-(1-cyclopropylpiperidin-4-yl)carbamate
TERT-BUTYL 4-(5-CHLORO-1H-PYRROLO[2,3-B]PYRIDIN-4-YL)PIPERAZINE-1-CARBOXYLATE
2-Methyl-2-propanyl 4-cyano-4-(hydroxymethyl)-1-piperidinecarboxylate
Propanedioic acid,2-(2-cyclohexen-1-yl)-, 1,3-diethyl ester
tert-butyl 2-oxo-1,7-diazaspiro[3.5]nonane-7-carboxylate
tert-butyl 4-(3-aminopropylidene)piperidine-1-carboxylate
TERT-BUTYL 2,7-DIAZASPIRO[3.5]NONANE-7-CARBOXYLATE HYDROCHLORIDE
tert-butyl 2,8-diazaspiro[4.5]decane-8-carboxylate
TERT-BUTYL OCTAHYDRO-1,6-NAPHTHYRIDINE-6(7H)-CARBOXYLATE
3,3,5,5-TETRAMETHYL-[1,1-BIPHENYL]-4,4-DIAMINE DIHYDROCHLORIDE HYDRATE
11b-methyl-2,5,6,11-tetrahydro-1H-pyrrolo[5,1-a]$b-carbolin-3-one
tert-Butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
N-(TERT-BUTYL)-3-ISOPROPYL-4-METHYL-5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOLE-1-CARBOXAMIDE
3-(HYDROXYIMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLICACID1,1-DIMETHYLETHYLESTER
1-Amino-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester
methyl 7-[(3S)-3-hydroxy-5-oxocyclopenten-1-yl]heptanoate
1,1Bis((2R,5R)-2,5-di-i-propylphospholano)ferrocene, min. 97
tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
Buterazine
D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
2-[1-(3-METHYLBENZYL)-3-OXO-2-PIPERAZINYL]-ACETIC ACID
TERT-BUTYL 6-OXO-2,7-DIAZASPIRO[4.4]NONANE-2-CARBOXYLATE
3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime
ABP688 is a high affinity human mGluR5 antagonist with anKi of 1.7 nM. Radioisotope-labeled ABP688 can be used as a PET tracer for clinical imaging of the mGlu5 receptor[1].
3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-phenyl-2-propen-1-one
2-[3-(2-Cyanopropan-2-yl)-5-formylphenyl]-2-methylpropanenitrile
(12bs)-1,2,3,4,12,12b-Hexahydroindolo[2,3-A]quinolizin-7(6h)-One
Ameltolide
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent Same as: D02892
1-(6,8-Dimethyl-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl)ethanone
3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1,5-dioxo-octahydroinden-4-yl]propanoic acid
2-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]-2H-furan-5-one
N-Ethylharmine
A member of the class of beta-carbolines that is 9H-beta-carboline substituted by a ethyl group at position 9, methoxy group at position 7 and a methyl group at position 1. It is semisynthetic derivative of harmine and has been shown to exhibit significant anti-HIV activity.
[(1S)-6-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
3-oxo-3-phenyl-2-(3,4,5,6-tetrahydro-2H-azepin-7-yl)propanenitrile
anisotanol A
A norsesquiterpenoid with formula C14H24O3. It is isolated from Anisodus tanguticus.
(Z,2R,3R)-2-ethyl-7-(2-ethylcyclopropyl)-3-hydroxyhept-5-enoic acid
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(Z)-pent-2-enyl]cyclopropyl]butanoic acid
1-Methyl-3-propyl-1H-pyrazole-5-carboxylic acid, TMS derivative
Methyl (1S,2R,(4A)R,8S,(8A)R)-1,2,3,5,6,7,8,(8A)-octahydro-8-hydroxy-2-methylnaphthalen-4(4A)H)-one-1-carboxylate
PIRBUTEROL
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03C - Adrenergics for systemic use > R03CC - Selective beta-2-adrenoreceptor agonists R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03A - Adrenergics, inhalants > R03AC - Selective beta-2-adrenoreceptor agonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents
3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoic acid
A dioxo monocarboxylic acid that consists of hydrindane bearing oxo and hydroxy substituents at positions 1 and 5 respectively as well as a 2-carboxyethyl substituent at position 4 (the 3aS,4S,5R,7aS diastereomer).
(1s,3ar,4r,7s,7as)-4-hydroxy-7-isopropyl-4-methyl-octahydroindene-1-carboxylic acid
1-(2-phenylethyl)-6h,7h,8h-pyrrolo[1,2-a]pyrazin-4-one
2-[(3s,5r)-5-hexyl-2-oxooxolan-3-yl]prop-2-enoic acid
(3z,4s,5r,7r)-7-(hydroxymethyl)-3-[(2e)-pent-2-en-1-ylidene]-1,6-dioxaspiro[4.4]nonan-4-ol
6-(2-hydroxypropan-2-yl)-3-methyl-2-(3-oxobutyl)cyclohexan-1-one
(1s,5s,8s)-8-hydroxy-8-[(1e)-3-hydroxybut-1-en-1-yl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
n-[(1s)-1-(acetyloxy)-octahydroindolizin-6-yl]ethanimidic acid
(5s)-5-(6-hydroxy-6-methyl-5-oxooctyl)-5h-furan-2-one
(2e,8z,10e)-heptadeca-2,8,10,16-tetraen-4,6-diyn-1-ol
(4-methylidene-5-oxooxolan-3-yl)methyl 5-methylhexanoate
(5s,6e)-11-hydroxy-5-isopropylundec-6-ene-2,8-dione
1-hydroxy-6-methoxy-3-(2-methylpropyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
(2z,4e,8e,10e)-heptadeca-2,4,8,10,16-pentaen-6-ynal
(3as,4r,10s,10as)-4-(hydroxymethyl)-2,6-diimino-octahydropyrrolo[1,2-c]purin-10-ol
(2r,3r)-2-(hex-5-en-1-yl)-3-[(1e,7e)-nona-1,7-dien-3,5-diyn-1-yl]oxirane
1,4,4-trimethyl-9-oxatricyclo[6.3.1.0²,⁶]dodecane-7,8-diol
1,4-dimethyl 2-(hex-1-en-1-yl)-3-methylbut-2-enedioate
4-(3-hydroxy-2,3-dimethylcyclopentyl)pent-4-en-1-yl acetate
1-(1-hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline
{"Ingredient_id": "HBIN000435","Ingredient_name": "1-(1-hydroxy-2-methoxyethyl)-4-methoxy-beta-carboline","Alias": "NA","Ingredient_formula": "C15H16N2O","Ingredient_Smile": "NA","Ingredient_weight": "272.303","OB_score": "NA","CAS_id": "89915-40-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9714","PubChem_id": "NA","DrugBank_id": "NA"}
1,3,5-tri(ethenyl)-2,4,6-triethylbenzene
{"Ingredient_id": "HBIN001060","Ingredient_name": "1,3,5-tri(ethenyl)-2,4,6-triethylbenzene","Alias": "1,3,5-Triethyl-2,4,6-trivinylbenzene; Benzene, 1,3,5-triethenyl-2,4,6-triethyl-; 1,3,5-tri(ethenyl)-2,4,6-triethyl-benzene; 1,3,5-triethyl-2,4,6-trivinyl-benzene","Ingredient_formula": "C18H24","Ingredient_Smile": "CCC1=C(C(=C(C(=C1C=C)CC)C=C)CC)C=C","Ingredient_weight": "240.4 g/mol","OB_score": "14.15272278","CAS_id": "NA","SymMap_id": "SMIT04201","TCMID_id": "NA","TCMSP_id": "MOL001848","TCM_ID_id": "NA","PubChem_id": "614550","DrugBank_id": "NA"}
13-carboxy-blumenol c
{"Ingredient_id": "HBIN001151","Ingredient_name": "13-carboxy-blumenol c","Alias": "NA","Ingredient_formula": "C13H20O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3165","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
15-nor-10-hydroxy-oplopan-4-oicacid
{"Ingredient_id": "HBIN001703","Ingredient_name": "15-nor-10-hydroxy-oplopan-4-oicacid","Alias": "NA","Ingredient_formula": "C14H24O3","Ingredient_Smile": "CC(C)C1CCC(C2C1C(CC2)C(=O)O)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "15749","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1r,5s,6s,7s,10r)-1β,6α-dihydroxyeudesman-4-one
{"Ingredient_id": "HBIN003158","Ingredient_name": "(1r,5s,6s,7s,10r)-1\u03b2,6\u03b1-dihydroxyeudesman-4-one","Alias": "NA","Ingredient_formula": "C14H24O3","Ingredient_Smile": "CC(C)C1CCC2(C(CCC(=O)C2C1O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5891","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-seco-agroclavine
{"Ingredient_id": "HBIN012101","Ingredient_name": "6,7-seco-agroclavine","Alias": "NA","Ingredient_formula": "C16H20N2","Ingredient_Smile": "CC(=CC1C(CC2=CNC3=CC=CC1=C23)NC)C","Ingredient_weight": "240.34 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "19590","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "155090","DrugBank_id": "NA"}
apocynol b
{"Ingredient_id": "HBIN016507","Ingredient_name": "apocynol b","Alias": "NA","Ingredient_formula": "C13H20O4","Ingredient_Smile": "CC(C=CC1(C(=CC(=O)CC1(C)C)CO)O)O","Ingredient_weight": "240.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1528","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10977562","DrugBank_id": "NA"}
