Exact Mass: 338.1729296
Exact Mass Matches: 338.1729296
Found 500 metabolites which its exact mass value is equals to given mass value 338.1729296,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Jatrorrhizine
C20H20NO4+ (338.13922600000006)
Jatrorrhizine is an alkaloid.
Bergamottin
Bergomottin is a furanocoumarin. It has a role as a metabolite. Bergamottin is a natural product found in Hansenia forbesii, Citrus hystrix, and other organisms with data available. See also: Lime (Citrus) (part of). D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins A natural product found in Citrus hystrix. Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM. Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM.
Columbamine
C20H20NO4+ (338.13922600000006)
Columbamine is a berberine alkaloid and an organic heterotetracyclic compound. Columbamine is a natural product found in Thalictrum podocarpum, Berberis thunbergii, and other organisms with data available.
resmethrin
DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10738; ORIGINAL_PRECURSOR_SCAN_NO 10736 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10701; ORIGINAL_PRECURSOR_SCAN_NO 10696 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10728; ORIGINAL_PRECURSOR_SCAN_NO 10725 INTERNAL_ID 158; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10714; ORIGINAL_PRECURSOR_SCAN_NO 10710 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10668; ORIGINAL_PRECURSOR_SCAN_NO 10665 CONFIDENCE standard compound; INTERNAL_ID 158; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10689; ORIGINAL_PRECURSOR_SCAN_NO 10685 D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
coronardine
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
Pinolidoxin
Pinolidoxin, also known as lethaloxin, is a member of the class of compounds known as oxocins. Oxocins are compounds containing an oxocin ring, which is a eight-member unsaturated aromatic ring containing one oxygen atom and seven carbon atoms. Pinolidoxin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Pinolidoxin can be found in common pea, which makes pinolidoxin a potential biomarker for the consumption of this food product.
beta-Cyclopiazonate
C20H22N2O3 (338.16303419999997)
Aspidospermatine
Aspidospermatine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid
6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid is found in pigeon pea. 6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid is a constituent of Cajanus cajan (pigeon pea). Constituent of Cajanus cajan (pigeon pea). 6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid is found in pigeon pea and pulses.
Epicainide
C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent
4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one
C20H28F2O2 (338.20572519999996)
3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one
2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Aziridyl benzoquinone
D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
Hapalindole G
A hapalindole that is hapalindole U in which the pro-R hydrogen at position 8 has been replaced by a chlorine. It is produced by the cyanobacterium Fischerella ambigua.
12-epi-fischerindole G
An organic heterotetracyclic compound that is 5,6,6a,7,8,9,10,10a-octahydroindeno[2,1-b]indole which is substituted at positions 6, 6, and 9 by methyl groups, and at positions 8, 9, and 10 by chlorine, vinyl, and isocyano groups respectively (the 6aS,8R,9S,10R,10aS stereoisomer). It is an indole alkaloid produced by the Stigonematales genus of cyanobacteria.
BIORESMETHRIN
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10702; ORIGINAL_PRECURSOR_SCAN_NO 10700 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10720; ORIGINAL_PRECURSOR_SCAN_NO 10715 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10634; ORIGINAL_PRECURSOR_SCAN_NO 10633 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10687; ORIGINAL_PRECURSOR_SCAN_NO 10684 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10657; ORIGINAL_PRECURSOR_SCAN_NO 10655 CONFIDENCE standard compound; INTERNAL_ID 183; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10733; ORIGINAL_PRECURSOR_SCAN_NO 10731
9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one
9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is a terpene lactone. Xanthotoxol geranyl ether is a natural product found in Citrus garrawayi, Skimmia laureola, and other organisms with data available. 9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is found in citrus. 9-[(3,7-Dimethyl-2,6-octadienyl)oxy]-7H-furo[3,2-g][1]benzopyran-7-one is a constituent of lemon oil. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Constituent of lemon oil. Xanthotoxol geranyl ether is found in lemon and citrus. 8-Geranyloxypsoralen is a furanocoumarin isolated from grapefruit, acts as a potent inhibitor of P450 3A4 (CYP3A4) with an IC50 of 3.93 μM[1]. 8-Geranyloxypsoralen is a furanocoumarin isolated from grapefruit, acts as a potent inhibitor of P450 3A4 (CYP3A4) with an IC50 of 3.93 μM[1].
Licochalcone A
Licochalcone A is found in herbs and spices. Licochalcone A is a constituent of the roots of Glycyrrhiza glabra (licorice)
2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid
2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid is found in pulses. 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid is a constituent of Cajanus cajan (pigeon pea). Constituent of Cajanus cajan (pigeon pea). 2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid is found in pulses. D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
Bergamottin
Bergamottin is found in citrus. Bergamottin is a constituent of bergamot oil. Also from lemon oil and oils of other Citrus species and carrot (Daucus carota) Bergamottin is a natural furanocoumarin found principally in grapefruit juice. It is also found in the oil of bergamot, from which it was first isolated and from which its name is derived. To a lesser extent, bergamottin is also present in the essential oils of other citrus fruits. Along with the chemically related compound 6 ,7 -dihydroxybergamottin, it is believed to be responsible for the grapefruit juice effect in which the consumption of the juice affects the metabolism of a variety of pharmaceutical drugs Constituent of bergamot oiland is also from lemon oil and oils of other Citrus subspecies and carrot (Daucus carota) Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM. Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM.
Licoagrocarpin
Licoagrocarpin is found in herbs and spices. Licoagrocarpin is isolated from the hairy root cultures of Glycyrrhiza glabra (licorice
2'-O-Methylglabridin
2-O-Methylglabridin is found in herbs and spices. 2-O-Methylglabridin is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). 2-O-Methylglabridin is found in tea and herbs and spices.
Gancaonin X
Gancaonin X is found in herbs and spices. Gancaonin X is a constituent of Glycyrrhiza uralensis (Chinese licorice). Constituent of Glycyrrhiza uralensis (Chinese licorice). Gancaonin X is found in herbs and spices.
Orientanol B
Orientanol B is found in green vegetables. Orientanol B is a constituent of Erythrina glauca (gallito)
4'-O-Methylglabridin
4-O-Methylglabridin is found in herbs and spices. 4-O-Methylglabridin is isolated from Glycyrrhiza glabra (licorice). Isolated from Glycyrrhiza glabra (licorice). 4-O-Methylglabridin is found in tea and herbs and spices.
Archangelin
Archangelin is found in fats and oils. Archangelin is a constituent of the root of Angelica archangelica (angelica)
Omega-Carboxy-trinor-leukotriene B4
omega-Carboxy-trinor-leukotriene B4 belongs to the leukotriene family. Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. omega-Carboxy-trinor-leukotriene B4 belongs to the leukotriene family
Nicotine glucuronide
Nicotine glucuronidation results in an N-quaternary glucuronide in humans. This reaction is catalyzed by uridine diphosphate-glucuronosyltransferase (UGT) enzyme(s) producing (S)-nicotine-N-beta-glucuronide (Nicotine-Gluc). About 3-5\\% of nicotine is converted to Nicotine-Gluc and excreted in urine in humans. [HMDB] Nicotine glucuronidation results in an N-quaternary glucuronide in humans. This reaction is catalyzed by uridine diphosphate-glucuronosyltransferase (UGT) enzyme(s) producing (S)-nicotine-N-beta-glucuronide (Nicotine-Gluc). About 3-5\\% of nicotine is converted to Nicotine-Gluc and excreted in urine in humans.
2'-O-Methylphaseollinisoflavan
From Phaseolus vulgaris (kidney bean). 2-O-Methylphaseollinisoflavan is found in many foods, some of which are common bean, pulses, green bean, and yellow wax bean. 2-O-Methylphaseollinisoflavan is found in common bean. 2-O-Methylphaseollinisoflavan is from Phaseolus vulgaris (kidney bean
18-carboxy dinor Leukotriene B4
18-carboxy dinor Leukotriene B4, also known as 18-COOH-19,20-LTB4, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 18-carboxy dinor Leukotriene B4 is considered to be practically insoluble (in water) and acidic
2'-Oxoquinidinone
C20H22N2O3 (338.16303419999997)
4-Hydroxyderricin
3'-Carbamoyl-[1,1'-biphenyl]-3-yl cyclohexylcarbamate
C20H22N2O3 (338.16303419999997)
URB-597 (KDS-4103) is an orally bioavailable and selective FAAH inhibitor. URB-597 inhibits FAAH activity with an IC50s of approximately 5 nM in rat brain membranes, 0.5 nM in intact rat neurons, 3 nM in human liver microsomes. Antidepressant-like effects. Analgesic activity[1].
7-O-Methylbavachin
O-Demethylencainide
D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
Picrinine
C20H22N2O3 (338.16303419999997)
(8S,9S,10R,11S,13S,14S,17S)-11,17-Dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
Palmatrubin
C20H20NO4+ (338.13922600000006)
Palmaturbine is isolated from T.?sinensis[1]. Palmaturbine is isolated from T.?sinensis[1].
LicochalconeC
Licochalcone C is a natural product found in Glycyrrhiza glabra and Glycyrrhiza inflata with data available. Licochalcone C could inhibit α-glucosidase, with IC50s of <100 nM and 92.43 μM for α-glucosidase and protein tyrosine phosphatase 1B (PTP1B), respectively. Licochalcone C could inhibit α-glucosidase, with IC50s of <100 nM and 92.43 μM for α-glucosidase and protein tyrosine phosphatase 1B (PTP1B), respectively.
O-Methylbroussochalcone B
(2e)-1-[2-Hydroxy-4-Methoxy-5-(3-Methylbut-2-En-1-Yl)phenyl]-3-(4-Hydroxyphenyl)prop-2-En-1-One is a natural product found in Cullen corylifolium and Sophora prostrata with data available. 4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 μM[1]. 4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 μM[1].
Licochalcone_A
Licochalcone A is a member of chalcones. Licochalcone a is a natural product found in Euphorbia helioscopia, Pogostemon cablin, and other organisms with data available. Licochalcone A is a derivative of the phenol chalconoid, found in and extracted from the roots of Glycyrrhiza species G. glabra and inflata, with potential anti-inflammatory, antibacterial, and anticancer activities. Upon administration, licochalcone A inhibits the phosphatidylinositol-3-kinase/Akt/mammalian target of rapamycin (PI3K/Akt/mTOR) signaling pathway and inhibits the activity of c-Jun N-terminal kinase 1 (JNK-1), a member of the mitogen-activated protein kinase (MAPK) family that plays a role in the MAPK-mediated signaling pathway. Inhibition of the PI3K/Akt/mTOR- and MAPK-signaling pathways induces cell cycle arrest and apoptosis, decreases migration and invasion of cancer cells, and inhibits tumor cell proliferation. Licochalcone A also prevents the production of reactive oxygen species (ROS), and reduces oxidative stress through the nuclear factor-erythroid 2-related factor 2 (Nrf2) pathway. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
Bavachinin
Bavachinin is a member of flavanones. Bavachinin is a natural product found in Cullen corylifolium with data available. See also: Cullen corylifolium fruit (part of). Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5]. Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5]. Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5]. Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5].
Licochalcone E
Licochalcone E is a natural product found in Glycyrrhiza inflata with data available.
Licochalcone
Licochalcone C is a natural product found in Glycyrrhiza glabra and Glycyrrhiza inflata with data available. Licochalcone C could inhibit α-glucosidase, with IC50s of <100 nM and 92.43 μM for α-glucosidase and protein tyrosine phosphatase 1B (PTP1B), respectively. Licochalcone C could inhibit α-glucosidase, with IC50s of <100 nM and 92.43 μM for α-glucosidase and protein tyrosine phosphatase 1B (PTP1B), respectively.
Picrinine
C20H22N2O3 (338.16303419999997)
Picrinine is a natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. It has a role as a plant metabolite, an antitussive, an anti-asthmatic agent, an analgesic and an anti-inflammatory agent. It is an organic heteropentacyclic compound, a methyl ester, a polycyclic ether, an indole alkaloid and an alkaloid ester. Picrinine is a natural product found in Hunteria zeylanica, Alstonia scholaris, and other organisms with data available. A natural product with formula C20H22N2O3 that is the member of the akuammiline family of alkaloids, first isolated in 1965 from the leaves of Alstonia scholaris. Picrinine, an akuammiline alkaloid, is isolated from the leaves of Alstonia scholaris. Picrinine exhibits anti-inflammatory activity through inhibition of the 5-lipoxygenase enzyme[1].
(+)-Vincadifformine
An aspidosperma alkaloid that is the methyl ester of 2,3-didehydroaspidospermidine-3-carboxylic acid.
Falciformin
12-Hydroxy-11-methoxynor-C-fluorocurarine
C20H22N2O3 (338.16303419999997)
Licochalcone C
Licochalcone C could inhibit α-glucosidase, with IC50s of <100 nM and 92.43 μM for α-glucosidase and protein tyrosine phosphatase 1B (PTP1B), respectively. Licochalcone C could inhibit α-glucosidase, with IC50s of <100 nM and 92.43 μM for α-glucosidase and protein tyrosine phosphatase 1B (PTP1B), respectively.
Bavachalcone
4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 μM[1]. 4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 μM[1].
Vincadifformine
Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
4-Hydroxyderricin
4-Hydroxyderricin, the major active ingredients of Angelica keiskei Koidzumi, is a potent selective MAO-B (Monoamine oxidase inhibitors) inhibitor with an IC50 of 3.43 μM. 4-Hydroxyderricin also mildly inhibits DBH (dopamine β-hydroxylase) activity. 4-Hydroxyderricin has antidepressant activity[1]. 4-Hydroxyderricin, the major active ingredients of Angelica keiskei Koidzumi, is a potent selective MAO-B (Monoamine oxidase inhibitors) inhibitor with an IC50 of 3.43 μM. 4-Hydroxyderricin also mildly inhibits DBH (dopamine β-hydroxylase) activity. 4-Hydroxyderricin has antidepressant activity[1].
Sandwicensin
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 3, a methoxy group at position 9 and a prenyl group at position 10. Isolated from Erythrina glauca and Erythrina stricta, it exhibits anti-HIV-1 activity.
4-O-Methylglabridin
2-O-Methylphaseollinisoflavan
A methoxyisoflavan that is the 2-O-methyl derivative of (-)-phaseollinisoflavan.
N-cyclohexyl-2-(2-furylmethyl)-3-oxoisoindoline-1-carboxamide
C20H22N2O3 (338.16303419999997)
3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-5-prop-1-enyl-1-benzofuran
(-)-17-O-Methylakagerine|17-O-Methylakagerina|17-O-Methylakagerine|7-O-methylakagerine
5,6-Dihydro-11-methoxy-2,2,12-trimethyl-2H-phenanthro[2,1-b]pyran-8,9-diol
2-(6-hydroxy-1-oxooctyl)-3,5-dihydroxybenzeneacetic acid ethyl ester|dothiorelone B
2,6-dihydroxy-4-methoxy-3-C-prenylchalcone|Isoxanthohumol
2-Me ether,4-O-(3-methyl-2-butenyl)-2,4,6-Trihydroxychalcone
2,4-Dihydroxy-6-methoxy-3-prenylchalcone|isoxanthohumol
1-formyl-17-methoxy-aspidofractinine|6-formyl-7-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|N-Formyl-17-methoxy-aspidofractinin
(-)-fisherindole I|12-epi-fischerindole I|12-epi-fischerindole I isonitrile
1-formyl-6-methoxy-aspidofractinine|6-formyl-3-methoxy-2,3,4,5,11,12-hexahydro-1H,6H-3a,5a-ethano-indolizino[8,1-cd]carbazole|Refractidin
(E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
5-Allyl-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methylbenzofuran
2-[5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]-1,4-benzoquinone|Panicein A
8alpha-acetoxy-13,14,15,16-tetranorlabdan-12-oic acid-18,6alpha-olide
11-hydroxy-cura-2(16),19-dien-17-oic acid methyl ester|Vinervin
C20H22N2O3 (338.16303419999997)
5,7-dimethoxy-8-prenylflavan|Di-Me ether-(S)-5,7-Dihydroxy-8-prenylflavan
4,5-dimethoxy-3,4-methylenedioxy-2,7-cyclolign-7-ene|pycnanthulignene B
5,7-Dihydroxy-2-(6-phenylhexyl)-gamma-chromene-4-one
angustilobine B, (rac)-
C20H22N2O3 (338.16303419999997)
A natural product found in Alstonia spatulata.
9-(3,7-dimethyl-2,6-octadienyl)-4-hydroxy-7H-furo[3,2-gamma][1]benzopyran-7-one
3-Ethyl-2,19-dioxabicyclo(16.3.1(docosa-3,6,9,18(22),21-pentaen-12-yn-20-one
(2E)-1-(4-hydroxyphenyl)-3-{2-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-en-1-one|4-hydroxy-2-methoxy-4-prenyloxychalcone|xinjiachalcone A
Bauhinoxepin B
A dibenzooxepine that is dibenzo[b,f]oxepine substituted by a methoxy group at position 6, a methyl group at position 7, a prenyl group at position 2 and hydroxy groups at positions 1 and 8 respectively. It is isolated from the roots of Bauhinia saccocalyx and exhibits antimycobacterial activity.
methyl 12-hydroxyakuammilan-17-oate
C20H22N2O3 (338.16303419999997)
3-acetyl-4-hydroxy-5-[4-(3-methyl-but-2-enyl)-indol-3-ylmethyl]-1,5-dihydro-pyrrol-2-one|3-acetyl-5-[4-(3-methyl-but-2-enyl)-indol-3-ylmethyl]-pyrrolidine-2,4-dione|Bissecodehydrocyclopiazonic acid|Bissecodehydrocyclopiazonsaeure|DL-beta-Cyclopiazonsaeure
C20H22N2O3 (338.16303419999997)
kopsihainanine B|N1-decarbomethoxy chanofruticosinic acid
C20H22N2O3 (338.16303419999997)
2,5-bis-(3,4-methylenedioxiphenyl)-3,4-dimethyltetrahydrofuran
10-hydroxy-16-de(methoxycarbonyl) pagicerine|rauverine B
C20H22N2O3 (338.16303419999997)
2-(3-methyl-1-butenyl)-1,8-dihydroxy-3-methoxy-6-methylanthrone
1,2-Dihydro-(Z,Z)-1,16-Diisothiocyanato-1,15-hexadecadiene
lespeflorin G10
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9, a methyl group at position 8 and a prenyl group at position 10. Isolated from the roots of Lespedeza floribunda, it acts as a melanin synthesis inhibitor.
17-hydroxy-1-methyl-vobasan-3-one|N(a)-Methyl-epi-affinin
2,3-dihydro-8-(3-hydroxy-3-methylbut-1-enyl)-7-methoxy-2-phenyl-4H-1-benzopyran-4-one|Falciformin
9-((2,5,5-trimethylcyclohex-1-enyl)methoxy)-7H-furo[3,2-g]chromen-7-one
Delta7-3,4-Dimethoxy-3,4-methylenedioxy-6.7,8.8-neolignan
4-O-(2,3-Di-O-methyl-alpha-D-xylopyranosyl)-2,3-di-O-methyl-D-xylose|4-O-<2,3-Di-O-methyl-alpha-D-xylopyranosyl>-2,3-di-O-methyl-D-xylose
2-Methylteretifolione B|8-C-methyl-teretifolione B
2-prenyl-3,5,4-trimethoxystilbene|3,5,4-trimethoxy-2-prenylstilbene|Tri-Me ether-3,4,5-Trihydroxy-2-prenylstilbene
2-[(2E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-2,6-dienyl]-5-methylcyclohexa-2,5-diene-1,4-dione|Furanoquinone
Me ester-Piptoporic acid|piptoporic acid methyl ester
(-)-dihydroalstonerine|20,21-dihydroalstonerine|alstoserine
butyl 3-O-beta-D-glucopyranosyl-(3R),4-dihydroxybutanoate
(2S)-2,6-bis(p-hydroxyphenethyl)-2,3-dihydropyran-4-one|(3S)-3,7-anhydro-6,7-dehydroericanone
3-oxo-17-carboxy-3,18-seco-barbacenic acid|3-Oxo-17-carboxy-3,18-secobarbacenic acid
11-hydroxy-1,16-cyclo-coryn-19-ene-17-carboxylic acid methyl ester|11-Hydroxypleiocarpamin
C20H22N2O3 (338.16303419999997)
16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,15(20),16,18-heptaene
C20H20NO4+ (338.13922600000006)
Coronaridine
(-)-coronaridine is a monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. It has a role as an antileishmanial agent, an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a monoterpenoid indole alkaloid, a methyl ester, an organic heteropentacyclic compound and an alkaloid ester. It is a conjugate base of a (-)-coronaridine(1+). Coronaridine is a natural product found in Voacanga schweinfurthii, Tabernanthe iboga, and other organisms with data available. A monoterpenoid indole alkaloid with formula C21H26N2O2. It is isolated from the flowering plant genus, Tabernaemontana. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
4-Hydroxyderricin
4-Hydroxyderricin is a member of chalcones. 4-Hydroxyderricin is a natural product found in Angelica keiskei, Millettia dura, and Sophora prostrata with data available. See also: Angelica keiskei top (part of); Angelica keiskei root (part of). 4-Hydroxyderricin, the major active ingredients of Angelica keiskei Koidzumi, is a potent selective MAO-B (Monoamine oxidase inhibitors) inhibitor with an IC50 of 3.43 μM. 4-Hydroxyderricin also mildly inhibits DBH (dopamine β-hydroxylase) activity. 4-Hydroxyderricin has antidepressant activity[1]. 4-Hydroxyderricin, the major active ingredients of Angelica keiskei Koidzumi, is a potent selective MAO-B (Monoamine oxidase inhibitors) inhibitor with an IC50 of 3.43 μM. 4-Hydroxyderricin also mildly inhibits DBH (dopamine β-hydroxylase) activity. 4-Hydroxyderricin has antidepressant activity[1].
ACon1_001209
8-Hydroxy-9,10-diisobutyryloxythymol is a natural product found in Centipeda minima, Arnica montana, and Inula japonica with data available.
bergamottin
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.538 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.539 Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM. Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM.
8-Geranyloxy psoralen
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.451 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.448
(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
(2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Palmatrubine
[C20H20NO4]+ (338.13922600000006)
Palmaturbine is isolated from T.?sinensis[1]. Palmaturbine is isolated from T.?sinensis[1].
bavachinin A
Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5]. Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5]. Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5]. Bavachinin is agonist of pan-peroxisome proliferator-activated receptor (PPAR), with the IC50 value of 21.043 μM, 12.819 μM, and 0.622 μM to PPAR-α, RRAR-β/δ, and PPAR-γ, respectively. Bavachinin is an inhibitor of HIF-1α. Bavachinin exhibits antitumor activity against non-small cell lung cancer by targeting RRAR-γ. Bavachinin is a natural compound with anti-inflammatory and anti-angiogenic activities. Bavachinin has orally bioactivity.[1][2][3][4][5].
C18H26O6_2,4-Hexadienoic acid, (6E)-3,4,5,8,9,10-hexahydro-8,9-dihydroxy-2-oxo-10-propyl-2H-oxecin-3-yl ester, (2E,4E)
C21H26N2O2_Ibogamine-18-carboxylic acid, methyl ester
Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1]. Coronaridine, an iboga type alkaloid, inhibits the wnt signaling pathway by decreasing β-catenin expression[1].
Retuline
A monoterpenoid indole alkaloid with formula C21H26N2O2, isolated from several species of Strychnos.
Chalcone base + 2O, 1MeO, 1Prenyl or Licochalcone A (Not validated)
Annotation level-3
methyl(2|A,3|A,5|A)-aspidofractinine-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Kopsinine; PRIME Parent Name:Kopsinine; PRIME in-house No.:V0259; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
methyl (4S,19S,1R,20R)-20-methyl-5,15-diazahexacyclo(10.6.1.1(1,4).0(4,12).0(6,11).0(5,19))icosa-6(11),7,9-triene-3-carboxylate
Origin: Plant; Formula(Parent): C21H26N2O2; Bottle Name:Pseudocopsinine; PRIME Parent Name:Pseudocopsinine; PRIME in-house No.:V0356; SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
Vinervine
C20H22N2O3 (338.16303419999997)
A natural product found in Alstonia spatulata. Origin: Plant; SubCategory_DNP: Monoterpenoid indole alkaloids, Strychnos alkaloids, Indole alkaloids
(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one [IIN-based: Match]
(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one [IIN-based on: CCMSLIB00000845911]
URB597
C20H22N2O3 (338.16303419999997)
URB-597 (KDS-4103) is an orally bioavailable and selective FAAH inhibitor. URB-597 inhibits FAAH activity with an IC50s of approximately 5 nM in rat brain membranes, 0.5 nM in intact rat neurons, 3 nM in human liver microsomes. Antidepressant-like effects. Analgesic activity[1].
Licochalcone a
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
Licoagrocarpin
Xanthotoxol geranyl ether
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins 8-Geranyloxypsoralen is a furanocoumarin isolated from grapefruit, acts as a potent inhibitor of P450 3A4 (CYP3A4) with an IC50 of 3.93 μM[1]. 8-Geranyloxypsoralen is a furanocoumarin isolated from grapefruit, acts as a potent inhibitor of P450 3A4 (CYP3A4) with an IC50 of 3.93 μM[1].
2-Hydroxy-4-methoxy-3-prenyl-6-styrylbenzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
FA 18:5;O4
4-[4-(2-Phenyl-2-propanyl)phenoxy]phthalonitrile
C23H18N2O (338.14190579999996)
2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
2,5-BIS[(E)-1H-INDOL-3-YLMETHYLIDENE]CYCLOPENTANONE
C23H18N2O (338.14190579999996)
Trimetazidine N-Carboxylic Acid Ethyl Ester
C17H26N2O5 (338.18416260000004)
2-(4-BOC-PIPERAZINYL)-2-(3-FLUORO-PHENYL)ACETIC ACID
6-(3-((tert-Butyldimethylsilyloxy)methyl)-pyrrolidin-1-yl)-2-fluoronicotinaldehyde
C17H27FN2O2Si (338.18257339999997)
Urea, N-(3,5-dimethylphenyl)-N-[4-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)
7-BROMO-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINEHYDROCHLORIDE
1h-1,4-diazepine-5-carboxylic acid, hexahydro-1,4-bis(phenylmethyl)-, methyl ester
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)picolinamide
C19H23BN2O3 (338.18016379999995)
Ne-Boc-L-lysine tert-butylester hydrochloride
C15H31ClN2O4 (338.19722360000003)
1-Trityl-1H-imidazole-4-carbaldehyde
C23H18N2O (338.14190579999996)
2,2-[1,4-PHENYLENEBIS(METHYLENE)]BIS-1H-BENZOIMIDAZOLE
5-METHYL-2-(4-(5-METHYL-1H-BENZO[D]IMIDAZOL-2-YL)PHENYL)-1H-BENZO[D]IMIDAZOLE
N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine
6-(tert-Butyloxycarbonylamino) pyridine-3-boronic acid pinacol ester
N-PYRIDIN-3-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C19H23BN2O3 (338.18016379999995)
N-(4-METHYL-PYRIDIN-2-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C19H23BN2O3 (338.18016379999995)
N-METHYL-N-PYRIDIN-2-YL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C19H23BN2O3 (338.18016379999995)
3-BIPHENYL-4-YL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(5-benzyl-2-furyl)methyl (1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)c yclopropane-1-carboxylate
2-(((BENZYLOXY)CARBONYL)AMINO)-3-((TERT-BUTOXYCARBONYL)AMINO)PROPANOIC ACID
N-PYRIDIN-2-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C19H23BN2O3 (338.18016379999995)
N-PYRIDIN-4-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C19H23BN2O3 (338.18016379999995)
(R)-TERT-BUTYL 2-((4-CHLOROBENZYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATE
1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-5-METHOXY-1-[TRIS(1-METHYLETHYL)SILYL]-
C17H27ClN2OSi (338.15810819999996)
(S)-2-(N-BOC-AMINO)-N-BENZYLOXY-3-HYDROXY-3-METHYLBUTYRAMIDE
C17H26N2O5 (338.18416260000004)
18-VINYL-2,3,5,6,8,9,11,12,14,15-DECAHYDROBENZO[B][1,4,7,10,13,16]HEXAOXACYCLOOCTADECINE
2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
1,1-BIS(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHANOL
4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyryl chloride
butyl prop-2-enoate,2-methylprop-2-enamide,prop-2-enenitrile,prop-2-enoic acid
C17H26N2O5 (338.18416260000004)
1-[1-(4-Fluorobenzyl)-1H-Benzimidazole-2yl]-N-Methyl-4-piperidineamine
C20H23FN4 (338.19066499999997)
1-TRITYL-1H-PYRAZOLE-4-CARBALDEHYDE
C23H18N2O (338.14190579999996)
N-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinamide
C19H23BN2O3 (338.18016379999995)
ethyl 1-benzyl-4-(phenylamino)piperidine-4-carboxylate
TERT-BUTYL 1H-SPIRO[ISOQUINOLINE-4,4-PIPERIDINE]-2(3H)-CARBOXYLATE HYDROCHLORIDE
C18H27ClN2O2 (338.17609519999996)
1-TRITYLIMIDAZOLE-2-CARBOXALDEHYDE
C23H18N2O (338.14190579999996)
(4-((4-(tert-butoxycarbonyl)piperazin-1-yl)Methyl)-2-fluorophenyl)boronic acid
2-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride hydrate
3-(Methoxycarbonyl)biphenyl-4-boronic acid pinacol ester
1-BOC-5-METHYLSPIRO[INDOLINE-3,4-PIPERIDINE] HYDROCHLORIDE
C18H27ClN2O2 (338.17609519999996)
1-Fmoc-3-Amino-3-(hydroxymethyl)pyrrolidine
C20H22N2O3 (338.16303419999997)
5-[Bis(2-methyl-2-propanyl)phosphino]-1-(1-naphthyl)-1H-pyrazole
C21H27N2P (338.19117520000003)
4-(4-Fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole
2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
3-(6-fluoropyridin-3-yl)-2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-4-(hydroxymethyl)-
C20H22N2O3 (338.16303419999997)
(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
N-[(3S)-1-benzylpyrrolidin-3-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
3-[Benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
C20H22N2O3 (338.16303419999997)
2-Amino-1-cyclohexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester
Fasnall
Fasnall is a selective fatty acid synthase (FASN) inhibitor with an IC50 of 3.71 μM. Fasnall induces apoptosis in HER2+ breast cancer cell lines. Fasnall shows potent anti-tumor activities[1].
N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
N-[(2r)-5-(Aminosulfonyl)-2,3-Dihydro-1h-Inden-2-Yl]-2-Propylpentanamide
C17H26N2O3S (338.1664046000001)
resmethrin
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
Bergaptin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM. Bergamottin is a potent and competitive CYP1A1 inhibitor with a Ki of 10.703 nM.
2-(17-Methoxy-11-oxa-7,20-diazahexacyclo[11.7.0.02,7.04,9.08,12.014,19]icosa-1(13),14(19),15,17-tetraen-5-ylidene)ethanol
C20H22N2O3 (338.16303419999997)
6-Hydroxy-3-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde
18-carboxy dinor Leukotriene B4
18-carboxy dinor Leukotriene B4, also known as 18-COOH-19,20-LTB4, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 18-carboxy dinor Leukotriene B4 is considered to be practically insoluble (in water) and acidic
(+)-7-iso-12-hydroxyjasmonoyl-L-isoleucine
C18H28NO5- (338.19673780000005)
methyl (1S,12R,19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
(2S)-5-amino-5-oxo-2-[[2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetyl]amino]pentanoic acid
C17H26N2O5 (338.18416260000004)
(4E,8E,10E,12E)-7,14-dihydroxyoctadeca-4,8,10,12-tetraenedioic acid
11,17-dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
(-)-Alstolucine B, (rel)-
C20H22N2O3 (338.16303419999997)
A natural product found in Alstonia spatulata.
(-)-Alstolucine F
C20H22N2O3 (338.16303419999997)
A natural product found in Alstonia spatulata and Alstonia scholaris.
3-[6-(4-Aminophenyl)-2-phenyl-4-pyrimidinyl]aniline
5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine
2-(2,6-dimethylphenoxy)-N-[2-(1-piperidinyl)phenyl]acetamide
N-[(4-tert-butylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
C20H22N2O3 (338.16303419999997)
N-(3,5-dimethylphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
Ethyl 7-amino-2-(4-tert-butylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
2-(2-methylphenoxy)-N-[2-(4-methyl-1-piperidinyl)phenyl]acetamide
1-[2-(piperidin-1-yl)ethyl]-N-[(E)-thiophen-2-ylmethylidene]-1H-benzimidazol-2-amine
(2S)-4-methyl-2-[[[5-(methylcarbamoyl)-1H-imidazol-4-yl]-oxomethyl]amino]pentanoic acid tert-butyl ester
C16H26N4O4 (338.19539560000004)
2-[3-(4-Morpholinyl)propylamino]-9-xanthenone
C20H22N2O3 (338.16303419999997)
4-[4-[2-Hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile
C20H22N2O3 (338.16303419999997)
2-(2-allylphenoxy)-N-(2-ethoxybenzylidene)acetohydrazide
C20H22N2O3 (338.16303419999997)
7-methyl-N-[4-(4-morpholinyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
1-[(1R,9S,11R,12E,17S)-12-Ethylidene-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-8-yl]ethanone
3-methyl-5-[(2-oxolanylmethylamino)methyl]-1-phenyl-2H-pyrazolo[3,4-b]pyridin-6-one
(2S,3S)-2-(2-{(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate
C18H28NO5- (338.19673780000005)
2-[3-[2-[5-Ethyl-3,4-dihydropyridine-1(2H)-yl]ethyl]-1H-indol-2-yl]acrylic acid methyl ester
N-[(2R,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2S,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2S,3S,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C20H22N2O3 (338.16303419999997)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C20H22N2O3 (338.16303419999997)
(6R,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
Methyl (1S,15E)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
C20H22N2O3 (338.16303419999997)
N-[(2S,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2S,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2R,3S,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2R,3R,6R)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
N-[(2R,3R,6S)-6-[2-(dimethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-fluorobenzamide
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C20H22N2O3 (338.16303419999997)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C20H22N2O3 (338.16303419999997)
(6R,7S,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7R,8R)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7R,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
1-Dodecylglycerone 3-phosphate
A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as dodecyl
methyl (1S,15E,18R)-15-ethylidene-12-oxo-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
C20H22N2O3 (338.16303419999997)
(9R,17S)-9-fluoro-6,11,17-trihydroxy-10,17-dimethyl-2,4,5,6,7,8,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
methyl 6-[(2E)-2-[(4-hydroxy-2,6-dimethoxyphenyl)methylidene]hydrazinyl]-6-oxohexanoate
Aspidofractinine-3-carboxylic acid, methyl ester, (2alpha,3beta,5alpha)-
methyl (15S,17S)-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
methyl (3beta,19Z)-12-hydroxy-2,16-didehydrocur-19-en-17-oate
C20H22N2O3 (338.16303419999997)
methyl (12S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
2,5-Bis(N-hexylmethylsilyl)thiophene
C18H34SSi2 (338.19196439999996)
methyl (19S)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9-tetraene-10-carboxylate
AZIRIDYL BENZOQUINONE
D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
(3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione
C20H22N2O3 (338.16303419999997)
N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate
C18H28NO5 (338.19673780000005)
An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.
(R)-2-(8,8-dimethyl-2,3,4,8-tetrahydropyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
2-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-6-(2-phenylethenyl)benzoic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(S)-nicotinium N-alpha-D-glucosiduronate
An N-glycosylpyridine that is the N-alpha-D-glucosiduronyl derivative of (S)-nicotine.
3-Hydroxy-5-methoxy-6-prenylstilbene-2-carboxylic acid
(-)-Vincadifformine
An aspidosperma alkaloid that is (5alpha,12beta,19alpha)-2,3-didehydroaspidospermidine which is substituted at position 3 by a methoxycarbonyl group. A natural product found in several species in the Apocynaceae (dogbane) family, including Alstonia spatulata.
18-hydroxy-18-oxo-dinorleukotriene B4
An octadecatetraenedioic acid obtained by oxidative degradation of leukotriene B4, a process that results in the removal of C19 and C20 with concomitant dioxygenation of C18.
6-Hydroxy-4-methoxy-3-(3-methyl-2-butenyl)-2-(2-phenylethenyl)benzoic acid
4-O-methyl-alpha-L-Rhap-(1->4)-2-O-methyl-alpha-L-Fucp
A disaccharide derivative consisting of 2-O-methyl-alpha-L-fucopyranose having a 4-O-methyl-alpha-L-rhamnopyranosyl residue attached at the 4-position.
3-O-Methylcalopocarpin
A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by a hydroxy group at position 9, a methoxy group at position 3 and a prenyl group at position 2. Isolated from Erythrina glauca and Erythrina burttii, it exhibits anti-HIV activity.
(5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one
C20H22N2O3 (338.16303419999997)
secodine
A methyl ester that is 1H-indole substituted by a 3-methoxy-3-oxoprop-1-en-2-yl group at position 2 and a 2-(5-ethyl-3,4-dihydropyridin-1(2H)-yl)ethyl groups at position 3. It is a transient intermediate in the synthesis of indole alkaloids such as vindoline and vincadifformine.
MBQ-167
MBQ-167 is a dual Rac/Cdc42 inhibitor, with IC50s of 103 nM for Rac 1/2/3 and 78 nM for Cdc42 in MDA-MB-231 cells, respectively.
SB 258719
SB 258719 is a selective 5-HT7 receptor antagonist with high affinity (pKi=7.5) for the receptor. SB 258719 can be used for the research of cancer and neurological disease[1][2][3].