Exact Mass: 394.183888

Exact Mass Matches: 394.183888

Found 167 metabolites which its exact mass value is equals to given mass value 394.183888, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Brucine

(8ξ,12ξ)-2,3-dimethoxystrychnidin-10-one

C23H26N2O4 (394.18924760000004)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D007155 - Immunologic Factors CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2329 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.545 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.540 ORIGINAL_ACQUISITION_NO 5860; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; ORIGINAL_PRECURSOR_SCAN_NO 5859 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5850; ORIGINAL_PRECURSOR_SCAN_NO 5847 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5870; ORIGINAL_PRECURSOR_SCAN_NO 5868 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5860; ORIGINAL_PRECURSOR_SCAN_NO 5859 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5841; ORIGINAL_PRECURSOR_SCAN_NO 5839 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5876; ORIGINAL_PRECURSOR_SCAN_NO 5873 CONFIDENCE standard compound; INTERNAL_ID 971; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5855; ORIGINAL_PRECURSOR_SCAN_NO 5853 [Raw Data] CBA35_Brucine_pos_40eV_1-3_01_1629.txt [Raw Data] CBA35_Brucine_pos_10eV_1-3_01_1618.txt [Raw Data] CBA35_Brucine_pos_30eV_1-3_01_1628.txt [Raw Data] CBA35_Brucine_pos_20eV_1-3_01_1627.txt [Raw Data] CBA35_Brucine_pos_50eV_1-3_01_1630.txt

   

Triamcinolone

Triamcinolone (Aristocort)

C21H27FO6 (394.1791574)


CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3715; ORIGINAL_PRECURSOR_SCAN_NO 3712 H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AC - Corticosteroids for local oral treatment R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3708; ORIGINAL_PRECURSOR_SCAN_NO 3707 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3717; ORIGINAL_PRECURSOR_SCAN_NO 3716 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3711; ORIGINAL_PRECURSOR_SCAN_NO 3706 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3783; ORIGINAL_PRECURSOR_SCAN_NO 3781 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3714; ORIGINAL_PRECURSOR_SCAN_NO 3712 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7651; ORIGINAL_PRECURSOR_SCAN_NO 7649 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7679; ORIGINAL_PRECURSOR_SCAN_NO 7677 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7697; ORIGINAL_PRECURSOR_SCAN_NO 7693 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7704; ORIGINAL_PRECURSOR_SCAN_NO 7701 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7689; ORIGINAL_PRECURSOR_SCAN_NO 7684 CONFIDENCE standard compound; INTERNAL_ID 239; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7706; ORIGINAL_PRECURSOR_SCAN_NO 7702 CONFIDENCE standard compound; INTERNAL_ID 2400 CONFIDENCE standard compound; INTERNAL_ID 8735 Triamcinolone is a long-acting glucocorticoid, a corticosteroid receptor (corticosteroid hormone receptor) agonist, and has anti-inflammatory effects.

   

Triamcinolone

(1S,2R,3aS,3bS,9aS,9bR,10S,11aS)-9b-fluoro-1,2,10-trihydroxy-1-(2-hydroxyacetyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

C21H27FO6 (394.1791574)


Triamcinolone is a C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections. It has a role as an anti-allergic agent and an anti-inflammatory drug. It is a fluorinated steroid, an 11beta-hydroxy steroid, a 20-oxo steroid, a 21-hydroxy steroid, a 3-oxo-Delta(4) steroid, a glucocorticoid, a 17alpha-hydroxy steroid, a 16alpha-hydroxy steroid, a C21-steroid hormone, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a hydride of a pregnane. Triamcinolone is a corticosteroid used to treat various inflammatory conditions in the body from allergic rhinitis to acute exacerbations of multiple sclerosis. Triamcinolone can be used as a one time adjunct treatment of osteoarthritic knee pain, or first line as a topical treatment of corticosteroid responsive dermatoses. Triamcinolone is more commonly seen in the forms triamcinolone hexacetonide, triamcinolone acetonide, and triamcinolone diacetate. Triamcinolone was granted FDA approval on 3 December 1957. In October 2021, a suspension of triamcinolone acetonide was approved for suprachoroidal injection - the first suprachoroidal injection to receive FDA approval - for the treatment of patients with macular edema associated with uveitis. Triamcinolone is a Corticosteroid. The mechanism of action of triamcinolone is as a Corticosteroid Hormone Receptor Agonist. Triamcinolone is a synthetic glucocorticoid with anti-inflammatory and immunomodulating properties. Upon cell entry, triamcinolone binds to and activates the glucocorticoid receptor, which leads to translocation of the ligand-receptor complex to the nucleus and induces expression of glucocorticoid-responsive genes such as lipocortins. Lipocortins inhibit phospholipase A2, thereby blocking the release of arachidonic acid from membrane phospholipids and preventing the synthesis of prostaglandins and leukotrienes, both mediators of inflammation. In addition, pro-inflammatory cytokine production, including interleukin (IL)-1and IL-6, and the activation of cytotoxic T-lymphocytes is also inhibited. T-cells are prevented from making IL-2 and proliferating. This agent also decreases the number of circulating lymphocytes, induces cell differentiation, and stimulates apoptosis through increasing Ikappa-B expression and curtailing activation of nuclear factor (NF)kappa-B. A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. A glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739) See also: Triamcinolone Acetonide (active moiety of); Triamcinolone Diacetate (is active moiety of). Triamcinolone is only found in individuals that have used or taken this drug. It is a glucocorticoid given, as the free alcohol or in esterified form, orally, intramuscularly, by local injection, by inhalation, or applied topically in the management of various disorders in which corticosteroids are indicated. (From Martindale, The Extra Pharmacopoeia, 30th ed, p739)The antiinflammatory actions of corticosteroids are thought to involve lipocortins, phospholipase A2 inhibitory proteins which, through inhibition of arachidonic acid, control the biosynthesis of prostaglandins and leukotrienes. Firstly, however, these glucocorticoids bind to the glucocorticoid receptors which translocate into the nucleus and bind DNA (GRE) and change genetic expression both positively and negatively. The immune system is suppressed by corticosteroids due to a decrease in the function of the lymphatic system, a reduction in immunoglobulin and complement concentrations, the precipitation of lymphocytopenia, and interference with antigen-antibody binding. H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AC - Corticosteroids for local oral treatment R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents Triamcinolone is a long-acting glucocorticoid, a corticosteroid receptor (corticosteroid hormone receptor) agonist, and has anti-inflammatory effects.

   

cis-3-Hexenyl b-primeveroside

2-[(3Z)-hex-3-en-1-yloxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C17H30O10 (394.183888)


cis-3-Hexenyl b-primeveroside is found in tea. cis-3-Hexenyl b-primeveroside is a constituent of Camellia sinensis

   

1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone

1,3,8-Trihydroxy-4-methyl-2,7-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, 9ci

C24H26O5 (394.17801460000004)


1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone is found in fruits. 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone is a constituent of the fruit hulls of Garcinia mangostana (mangosteen). Constituent of the fruit hulls of Garcinia mangostana (mangosteen). 1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone is found in fruits.

   

16-DHPS

{14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-7,13-dien-5-yl}oxidanesulfonic acid

C21H30O5S (394.18138500000003)


   

Brucine

4,5-dimethoxy-12-oxa-8,17-diazaheptacyclo[15.5.2.0¹,¹⁸.0²,⁷.0⁸,²².0¹¹,²¹.0¹⁵,²⁰]tetracosa-2(7),3,5,14-tetraen-9-one

C23H26N2O4 (394.18924760000004)


   

Akuammiline

methyl (1S,10S,12S,13E)-18-(acetyloxymethyl)-13-ethylidene-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate

C23H26N2O4 (394.18924760000004)


Akuammiline is a monoterpenoid indole alkaloid.

   
   
   
   
   
   
   

(5R,15E)-16-bromo-docos-15-ene-1,3-diyn-5-ol

(5R,15E)-16-bromo-docos-15-ene-1,3-diyn-5-ol

C22H35BrO (394.187112)


   

Brucin

InChI=1\C23H26N2O4\c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18\h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H

C23H26N2O4 (394.18924760000004)


D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D007155 - Immunologic Factors

   

2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin

2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin

C24H26O5 (394.17801460000004)


   

(E)-2-Hexenyl-??-L-arabinopyranosyl-(1鈥樏傗垎2)-??-D-glucopyranoside

(E)-2-Hexenyl-??-L-arabinopyranosyl-(1鈥樏傗垎2)-??-D-glucopyranoside

C17H30O10 (394.183888)


   
   
   
   

2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E),7-pentenyl]-furo[2,3-b]chromone

2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E),7-pentenyl]-furo[2,3-b]chromone

C24H26O5 (394.17801460000004)


   
   
   

Z-hex-3-en-1-ol O-alpha-L-arabinopyransyl (1-2)-beta-D-glucopyranoside

Z-hex-3-en-1-ol O-alpha-L-arabinopyransyl (1-2)-beta-D-glucopyranoside

C17H30O10 (394.183888)


   
   

isobrucine

isobrucine

C23H26N2O4 (394.18924760000004)


A monoterpenoid indole alkaloid with formula C23H26N2O4, originally isolated from the seeds of Strychnos nux-vomica.

   

1,3-dihydroxy-6-methoxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one|1,3-dihydroxy-6-methoxy-2,4-bis(3-methylbut-2-enyl)-9H-xanthen-9-one

1,3-dihydroxy-6-methoxy-2,4-bis(3-methyl-2-buten-1-yl)-9H-xanthen-9-one|1,3-dihydroxy-6-methoxy-2,4-bis(3-methylbut-2-enyl)-9H-xanthen-9-one

C24H26O5 (394.17801460000004)


   
   
   

1,8-dihydroxy-3-geranyloxy-6-methylxanthone

1,8-dihydroxy-3-geranyloxy-6-methylxanthone

C24H26O5 (394.17801460000004)


   

2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-3-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin

2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-3-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin

C24H26O5 (394.17801460000004)


   

(16S)-17-Acetoxy-sarpagan-16-carbonsaeure-methylester|(16S)-17-acetoxy-sarpagane-16-carboxylic acid methyl ester|Acetylakuammidin|Monoacetylrhazin|O-Acetyl-rhazin|Polyneuridinacetat

(16S)-17-Acetoxy-sarpagan-16-carbonsaeure-methylester|(16S)-17-acetoxy-sarpagane-16-carboxylic acid methyl ester|Acetylakuammidin|Monoacetylrhazin|O-Acetyl-rhazin|Polyneuridinacetat

C23H26N2O4 (394.18924760000004)


   
   

(E)-2-hexenyl alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside

(E)-2-hexenyl alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranoside

C17H30O10 (394.183888)


   
   

6-deoxy-gamma-mangostin|Calocalabaxanthone

6-deoxy-gamma-mangostin|Calocalabaxanthone

C24H26O5 (394.17801460000004)


   

6beta-cinnamoyloxy-9beta-hydroxysenberginone

6beta-cinnamoyloxy-9beta-hydroxysenberginone

C24H26O5 (394.17801460000004)


   
   

(-)-2beta-(3-methyl-1-oxobut-2-enyl)-2-deoxybruceol

(-)-2beta-(3-methyl-1-oxobut-2-enyl)-2-deoxybruceol

C24H26O5 (394.17801460000004)


   
   
   

11-Methoxyicajine|3-methoxy-19-methyl-16,19-seco-strychnidine-10,16-dione|3-Methoxy-icajin|3-methoxy-icajine|3-methoxyicajine|N-methyl-sec-pseudo-alpha-colubrine

11-Methoxyicajine|3-methoxy-19-methyl-16,19-seco-strychnidine-10,16-dione|3-Methoxy-icajin|3-methoxy-icajine|3-methoxyicajine|N-methyl-sec-pseudo-alpha-colubrine

C23H26N2O4 (394.18924760000004)


   
   
   
   
   
   
   
   
   
   
   
   

N, N-p-Cinnamoyl, caffeoylcadaverine

N, N-p-Cinnamoyl, caffeoylcadaverine

C23H26N2O4 (394.18924760000004)


   

MLS001066543-01!124-94-7

MLS001066543-01!124-94-7

C21H27FO6 (394.1791574)


   

Brucine - CASMI2016 Category 1 - Challenge 9

Brucine - CASMI2016 Category 1 - Challenge 9

C23H26N2O4 (394.18924760000004)


   

C17H30O10_(3Z)-3-Hexen-1-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside

NCGC00385430-01_C17H30O10_(3Z)-3-Hexen-1-yl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside

C17H30O10 (394.183888)


   

C23H26N2O4_2,3-Dimethoxystrychnidin-10-one

NCGC00384497-01_C23H26N2O4_2,3-Dimethoxystrychnidin-10-one

C23H26N2O4 (394.18924760000004)


   
   

Ala Ala Ala Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]propanamido]-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O6 (394.1852256)


   

Ala Ala Phe Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-phenylpropanamido]-3-hydroxypropanoic acid

C18H26N4O6 (394.1852256)


   

Ala Ala Ser Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-hydroxypropanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Ala Ala Tyr Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Ala Phe Ala Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]propanamido]-3-hydroxypropanoic acid

C18H26N4O6 (394.1852256)


   

Ala Phe Gly Thr

(2S,3R)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]acetamido}-3-hydroxybutanoic acid

C18H26N4O6 (394.1852256)


   

Ala Phe Ser Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-hydroxypropanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Ala Phe Thr Gly

2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-phenylpropanamido]-3-hydroxybutanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Ala Gly Phe Thr

(2S,3R)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-phenylpropanamido]-3-hydroxybutanoic acid

C18H26N4O6 (394.1852256)


   

Ala Gly Thr Phe

(2S)-2-[(2S,3R)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-hydroxybutanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Ala Ser Ala Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]propanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Ala Ser Phe Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Ala Thr Phe Gly

2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-phenylpropanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Ala Thr Gly Phe

(2S)-2-{2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]acetamido}-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Ala Tyr Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-(4-hydroxyphenyl)propanamido]propanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Phe Ala Ala Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]propanamido]-3-hydroxypropanoic acid

C18H26N4O6 (394.1852256)


   

Phe Ala Gly Thr

(2S,3R)-2-{2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]acetamido}-3-hydroxybutanoic acid

C18H26N4O6 (394.1852256)


   

Phe Ala Ser Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-hydroxypropanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Phe Ala Thr Gly

2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]propanamido]-3-hydroxybutanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Phe Gly Ala Thr

(2S,3R)-2-[(2S)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}propanamido]-3-hydroxybutanoic acid

C18H26N4O6 (394.1852256)


   

Phe Gly Thr Ala

(2S)-2-[(2S,3R)-2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}-3-hydroxybutanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Phe Ser Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxypropanamido]propanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Phe Thr Ala Gly

2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]propanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Phe Thr Gly Ala

(2S)-2-{2-[(2S,3R)-2-[(2S)-2-amino-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}propanoic acid

C18H26N4O6 (394.1852256)


   

Gly Ala Phe Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-phenylpropanamido]-3-hydroxybutanoic acid

C18H26N4O6 (394.1852256)


   

Gly Ala Thr Phe

(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-hydroxybutanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Gly Phe Ala Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]propanamido]-3-hydroxybutanoic acid

C18H26N4O6 (394.1852256)


   

Gly Phe Thr Ala

(2S)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamido)-3-phenylpropanamido]-3-hydroxybutanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Gly Gly Val Tyr

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-methylbutanamido]-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O6 (394.1852256)


   

Gly Gly Tyr Val

(2S)-2-[(2S)-2-[2-(2-aminoacetamido)acetamido]-3-(4-hydroxyphenyl)propanamido]-3-methylbutanoic acid

C18H26N4O6 (394.1852256)


   

Gly Thr Ala Phe

(2S)-2-[(2S)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]propanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Gly Thr Phe Ala

(2S)-2-[(2S)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-phenylpropanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Gly Val Gly Tyr

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O6 (394.1852256)


   

Gly Val Tyr Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Gly Tyr Gly Val

(2S)-2-{2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylbutanoic acid

C18H26N4O6 (394.1852256)


   

Gly Tyr Val Gly

2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]acetic acid

C18H26N4O6 (394.1852256)


   
   

Ser Ala Ala Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]propanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Ser Ala Phe Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-phenylpropanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Ser Phe Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-phenylpropanamido]propanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Thr Ala Phe Gly

2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-phenylpropanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Thr Ala Gly Phe

(2S)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]acetamido}-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Thr Phe Ala Gly

2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]propanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Thr Phe Gly Ala

(2S)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-phenylpropanamido]acetamido}propanoic acid

C18H26N4O6 (394.1852256)


   

Thr Gly Ala Phe

(2S)-2-[(2S)-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}propanamido]-3-phenylpropanoic acid

C18H26N4O6 (394.1852256)


   

Thr Gly Phe Ala

(2S)-2-[(2S)-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}-3-phenylpropanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Val Gly Gly Tyr

(2S)-2-(2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}acetamido)-3-(4-hydroxyphenyl)propanoic acid

C18H26N4O6 (394.1852256)


   

Val Gly Tyr Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-methylbutanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Val Tyr Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}acetic acid

C18H26N4O6 (394.1852256)


   

Tyr Ala Ala Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]propanamido]propanoic acid

C18H26N4O6 (394.1852256)


   

Tyr Gly Gly Val

(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-methylbutanoic acid

C18H26N4O6 (394.1852256)


   

Tyr Gly Val Gly

2-[(2S)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-methylbutanamido]acetic acid

C18H26N4O6 (394.1852256)


   

Tyr Val Gly Gly

2-{2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylbutanamido]acetamido}acetic acid

C18H26N4O6 (394.1852256)


   
   

cis-3-Hexenyl b-primeveroside

2-[(3Z)-hex-3-en-1-yloxy]-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxane-3,4,5-triol

C17H30O10 (394.183888)


   

1,3,8-Trihydroxy-4-methyl-2,7-diprenylxanthone

1,3,8-Trihydroxy-4-methyl-2,7-bis(3-methyl-2-butenyl)-9H-xanthen-9-one, 9ci

C24H26O5 (394.17801460000004)


A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1,3 and 8, prenyl groups at positions 2 and 7, and a methyl group at position 4.

   
   

Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-[4-(methylthio)phenyl]- (9CI)

Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-[4-(methylthio)phenyl]- (9CI)

C22H26N4OS (394.18272260000003)


   

1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol

1,2-Bis(4-methylphenyl)-1,2-diphenyl-1,2-ethanediol

C28H26O2 (394.1932696)


   

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(4-methoxyphenyl)- (9CI)

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(4-methoxyphenyl)- (9CI)

C22H26N4OS (394.18272260000003)


   

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3-methoxyphenyl)- (9CI)

Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3-methoxyphenyl)- (9CI)

C22H26N4OS (394.18272260000003)


   

4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid

4-[(Z)-1-hydroxy-3-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-oxoprop-1-enyl]benzoic acid

C24H26O5 (394.17801460000004)


   

(2-{4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}PHENYL)METHANOL

(2-{4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}PHENYL)METHANOL

C24H24F2N2O (394.1856598)


   

(4-{4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}PHENYL)METHANOL

(4-{4-[BIS(4-FLUOROPHENYL)METHYL]PIPERAZIN-1-YL}PHENYL)METHANOL

C24H24F2N2O (394.1856598)


   

Rimacalib

Rimacalib

C22H23FN4O2 (394.18049499999995)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors

   

1,2,3,4-Tetraphenylbutane-2,3-diol

1,2,3,4-Tetraphenylbutane-2,3-diol

C28H26O2 (394.1932696)


   

L-Tyrosyl-L-valyl-L-asparagine

L-Tyrosyl-L-valyl-L-asparagine

C18H26N4O6 (394.1852256)


   

N-Allyl-5-amidinoaminooxy-propyloxy-3-chloro-N-cyclopentylbenzamide

N-Allyl-5-amidinoaminooxy-propyloxy-3-chloro-N-cyclopentylbenzamide

C19H27ClN4O3 (394.1771582)


   

(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine

(2S)-1-(3H-Indol-3-yl)-3-{[5-(6-isoquinolinyl)-3-pyridinyl]oxy}-2-propanamine

C25H22N4O (394.1793522)


   

Volon

(8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11,16,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

C21H27FO6 (394.1791574)


H - Systemic hormonal preparations, excl. sex hormones and insulins > H02 - Corticosteroids for systemic use > H02A - Corticosteroids for systemic use, plain > H02AB - Glucocorticoids D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07X - Corticosteroids, other combinations > D07XB - Corticosteroids, moderately potent, other combinations D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AC - Corticosteroids for local oral treatment R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03B - Other drugs for obstructive airway diseases, inhalants > R03BA - Glucocorticoids C - Cardiovascular system > C05 - Vasoprotectives > C05A - Agents for treatment of hemorrhoids and anal fissures for topical use > C05AA - Corticosteroids R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents Triamcinolone is a long-acting glucocorticoid, a corticosteroid receptor (corticosteroid hormone receptor) agonist, and has anti-inflammatory effects.

   

(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one

(4aR,5aS,8aR,15bR)-10,11-dimethoxy-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-14-one

C23H26N2O4 (394.18924760000004)


   

(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

C21H30O5S (394.18138500000003)


   

(Z)-3-Hexenylvicianoside

(Z)-3-Hexenylvicianoside

C17H30O10 (394.183888)


   

3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine

3-hydroxy-5-nitro-2-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-triazolimine

C20H22N6O3 (394.17533019999996)


   

2-[Oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohexanecarboxylic acid

2-[Oxo-[2-[oxo-(2-phenylethylamino)methyl]anilino]methyl]-1-cyclohexanecarboxylic acid

C23H26N2O4 (394.18924760000004)


   
   
   
   

2-[[1-[[3-(2-Hydroxyethoxy)phenyl]methyl]-4-piperidinyl]methyl]isoindole-1,3-dione

2-[[1-[[3-(2-Hydroxyethoxy)phenyl]methyl]-4-piperidinyl]methyl]isoindole-1,3-dione

C23H26N2O4 (394.18924760000004)


   

(2R)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2R)-2-[(4S,5S)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C20H30N2O4S (394.19261800000004)


   

(2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

(2S)-2-[(4R,5R)-8-(1-cyclopentenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

C20H30N2O4S (394.19261800000004)


   
   
   
   
   
   
   
   
   
   

18-Dihydrorenierin-1

18-Dihydrorenierin-1

C22H35BrO (394.187112)


   

Triamcinolone (Aristocort)

Triamcinolone (Aristocort)

C21H27FO6 (394.1791574)


   

[2-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] butanoate

[2-Butanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] butanoate

C17H30O10 (394.183888)


   

[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] pentanoate

[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] pentanoate

C17H30O10 (394.183888)


   

[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexanoate

[1-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] hexanoate

C17H30O10 (394.183888)