Exact Mass: 338.13922600000006
Exact Mass Matches: 338.13922600000006
Found 500 metabolites which its exact mass value is equals to given mass value 338.13922600000006,
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.
Wighteone
A natural product found in Ficus mucuso. Wighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 6. It has been isolated from Ficus mucuso. It has a role as a plant metabolite and an antifungal agent. It is functionally related to an isoflavone. Wighteone is a natural product found in Genista ephedroides, Erythrina suberosa, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 6. It has been isolated from Ficus mucuso. Wighteone is a compound isolated from the aerial parts of Genista ephedroides[1]. Wighteone is a compound isolated from the aerial parts of Genista ephedroides[1].
Demethoxycurcumin
[Raw Data] CBA69_Demethoxycurcum_neg_50eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_40eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_10eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_20eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_10eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_40eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_30eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_30eV.txt [Raw Data] CBA69_Demethoxycurcum_neg_20eV.txt [Raw Data] CBA69_Demethoxycurcum_pos_50eV.txt Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Glyceollin I
Glyceollin I is found in pulses. Phytoalexin from soybean seedlings.
beta-Cyclopiazonate
C20H22N2O3 (338.16303419999997)
Glepidotin A
A trihydroxyflavone that is galangin substituted by a prenyl group at position 8.
Alamarine
C19H18N2O4 (338.12665080000005)
A member of the class of isoquinolinonaphthyridines that is 5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one bearing additional hydroxy, methoxy and 1-hydroxyethyl substituents at positions 2, 3 and 12.
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.
Glyceollin II
Phytoalexin from Glycine max (soybean). Glyceollin II is found in soy bean, fats and oils, and pulses. Glyceollin II is found in fats and oils. Phytoalexin from Glycine max (soybean).
2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Glyceollin III
Phytoalexin from Glycine max (soybean). Glyceollin III is found in soy bean, fats and oils, and pulses. Glyceollin III is found in fats and oils. Phytoalexin from Glycine max (soybean).
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.
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].
Demethoxycurcumin
Demethoxycurcumin is a beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. It has a role as a metabolite, an antineoplastic agent and an anti-inflammatory agent. It is a polyphenol, a beta-diketone, an enone and a diarylheptanoid. Demethoxycurcumin is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Isolated from Curcuma zedoaria (zedoary), Curcuma longa (turmeric), Curcuma xanthorrhiza (Java turmeric). Demethoxycurcumin is found in many foods, some of which are beverages, herbs and spices, turmeric, and root vegetables. Demethoxycurcumin is found in beverages. Demethoxycurcumin is isolated from Curcuma zedoaria (zedoary), Curcuma longa (turmeric), Curcuma xanthorrhiza (Java turmeric). A beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Lupiwighteone
Lupiwighteone is a member of isoflavones. Lupiwighteone is a natural product found in Anthyllis hermanniae, Erythrina sigmoidea, and other organisms with data available. Isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean). Lupiwighteone is found in herbs and spices, pulses, and adzuki bean. Lupiwighteone is found in adzuki bean. Lupiwighteone is isolated from Glycyrrhiza uralensis (Chinese licorice) and Vigna angularis (azuki bean).
3'-(gamma,gamma-Dimethylallyl)genistein
Isowighteone is a member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. It has a role as a plant metabolite. It is functionally related to an isoflavone. Isowighteone is a natural product found in Sophora tomentosa, Erythrina addisoniae, and other organisms with data available. A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7 and 4 and a prenyl group at position 3. It has been isolated from Ficus mucuso. 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea. 3-(gamma,gamma-Dimethylallyl)genistein is isolated from Cajanus cajan (pigeon pea). Isolated from Cajanus cajan (pigeon pea). 3-(gamma,gamma-Dimethylallyl)genistein is found in pigeon pea and pulses.
Licochalcone A
Licochalcone A is found in herbs and spices. Licochalcone A is a constituent of the roots of Glycyrrhiza glabra (licorice)
15-Acetyl-4-deoxynivalenol
15-Acetyl-4-deoxynivalenol is a mycotoxin produced by Fusarium graminearum and Gibberella zeae.
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.
Methuyl tanshinonate
Constituent of Salvia sclarea (Clary sage). Methuyl tanshinonate is found in tea, alcoholic beverages, and herbs and spices. Methuyl tanshinonate is found in alcoholic beverages. Methuyl tanshinonate is a constituent of Salvia sclarea (Clary sage).
Acetyldeoxynivalenol
Toxin from infected barley. Acetyldeoxynivalenol is found in cereals and cereal products. Acetyldeoxynivalenol is found in cereals and cereal products. Toxin from infected barle D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
O-Acetylcyclocalopin A
O-Acetylcyclocalopin A is found in mushrooms. O-Acetylcyclocalopin A is a major bitter principle from Boletus calopus and other Boletus species. Major bitter principle from Boletus calopus and other Boletus subspecies O-Acetylcyclocalopin A is found in mushrooms.
6alpha-Hydroxyphaseollin
Phytoalexin from soybeans (Glycine max) infected by Phytophthora species 6alpha-Hydroxyphaseollin is found in many foods, some of which are green bean, soy bean, pulses, and common bean. 6alpha-Hydroxyphaseollin is found in common bean. Phytoalexin from soybeans (Glycine max) infected by Phytophthora sp
Licoagrocarpin
Licoagrocarpin is found in herbs and spices. Licoagrocarpin is isolated from the hairy root cultures of Glycyrrhiza glabra (licorice
Moracin H
Moracin H is found in fruits. Moracin H is from Morus alba (white mulberry) infected with Fusarium solani.
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.
Otobanone
Otobanone is found in herbs and spices. Otobanone is isolated from nutmeg (Myristica fragrans
Licoagroaurone
Licoagroaurone is found in herbs and spices. Licoagroaurone is isolated from hairy root cultures of Glycyrrhiza glabra (licorice Isolated from hairy root cultures of Glycyrrhiza glabra (licorice). Licoagroaurone 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)
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
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
Cimoxatone
C19H18N2O4 (338.12665080000005)
D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
2-(2-Cyclopropylhydrazinyl)-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
C13H18N6O5 (338.13386180000003)
Picrinine
C20H22N2O3 (338.16303419999997)
N-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]-N-ethylformamide
C13H18N6O5 (338.13386180000003)
Tuberosin
Tuberosin is a member of the class of compounds known as pterocarpans. Pterocarpans are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids. Tuberosin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Tuberosin can be found in potato, which makes tuberosin a potential biomarker for the consumption of this food product.
0DQ85982ZY
Licoflavone C is a natural product found in Genista ephedroides, Artocarpus altilis, and other organisms with data available. See also: Glycyrrhiza inflata root (part of).
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].
Citflavanone
Broussoaurone A
5,7,4-Trihydroxy-8-(1,1-dimethylprop-2-enyl)isoflavone
Falciformin
5,7-Dihydroxy-8-C-(gamma-methyl-gamma-formylallyl)flavanone
5-Deoxyglyasperin F
A hydroxyisoflavanone that is 2,3-dihydro-2H,4H-3,8-bichromen-4-one substituted by hydroxy groups at positions 5 and 7 and geminal methyl groups at position 2. Isolated from the roots of Erythrina lysistemon, it exhibits anti-HIV activity.
12-Hydroxy-11-methoxynor-C-fluorocurarine
C20H22N2O3 (338.16303419999997)
Moracin H
15-Acetyl-deoxynivalenol
Mycotoxin production by Fusarium graminearum and Gibberella zeae.
6-Prenylapigenin
6-Prenylapigenin is a natural product found in Ficus glumosa, Maclura cochinchinensis, and other organisms with data available.
Yinyanghuo D
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].
3,4,2-Trihydroxy-6,6-dimethylpyrano[2,3:4,3]chalcone
Methyl tanshinonate
(2S)-5-hydroxy-7-methoxy-8-[(E)-3-oxo-1-butenyl]flavanone
A monohydroxyflavanone that is (2S)-flavanone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a (1E)-3-oxobut-1-en-1-yl group at position 8. Isolated from Tephrosia toxicaria, it exhibits anti-cancerous activity.
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.
curcumin II
Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells. Demethoxycurcumin is the main active component of curcumin and has been shown to have anti-inflammatory and toxic effects on cancer cells.
Crotalarin
D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins
Glyinflanin B
3,4,2-Trihydroxy-6',6'-dimethylpyrano [ 2',3':4,3 ] chalcone
Glyceollin III
A benzofuropyranochromene that is 1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene substituted at positions 6a and 9 by hydroxy groups and at position 2 by a prop-1-en-2-yl group.
4-O-Methylglabridin
2-O-Methylphaseollinisoflavan
A methoxyisoflavan that is the 2-O-methyl derivative of (-)-phaseollinisoflavan.
Terphenyllin
A para-terphenyl that is 1,1:4,1-terphenyl substituted by methoxy groups at positions 3 and 6 and hydroxy groups at positions 2, 4 and 4. It has been isolated from Aspergillus taichungensis.
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
5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,4,6-heptatrien-3-one|demethoxycurcumin
5,6-Dihydro-11-methoxy-2,2,12-trimethyl-2H-phenanthro[2,1-b]pyran-8,9-diol
2-acetoxy-10beta-hydroperoxy-3-oxo-eremophila-1,11(13)-dien-12-oic acid
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
(1R*,3S*,6S*,7R*,8R*)-1-hydroperoxy-3-acetoxy-8-hydroxygermacra-4Z,10(14),11(13)-triene-6,12-olide
(-)-fisherindole I|12-epi-fischerindole I|12-epi-fischerindole I isonitrile
3-<-2-<(2H-1,3-Benzodioxol-5-yl)methyl>-7-methoxy-5-benzofuranyl>-2-propen-1-ol|3-{-2-[(2H-1,3-Benzodioxol-5-yl)methyl]-7-methoxy-5-benzofuranyl}-2-propen-1-ol
7-isopropenylbicyclo[4.2.0]octa-1,3,5-triene-2,5-diol,5-beta-D-glucopyranoside|acremonin A glucoside
(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-(2,4-dihydroxy-5-prenylphenyl)-5,6-methylenedioxybenzofuran
An organic heterotricyclic compound that is 5,6-methylenedioxybenzofuran substituted by a 2,4-dihydroxy-5-prenylphenyl moiety at position 2. Isolated from the roots of Sophora flavescens, it exhibits cytotoxic activity against the KB epidermoid carcinoma cell line.
(Z)-6,7-dihydroxy-2-(6-hydroxy-4-methyl-3-pentenyl)anthraquinone|anthrasesamone F
6alpha-hydroxy-4,8-dimethoxycarbonyl-pinguis-11,6-olide
11-hydroxy-cura-2(16),19-dien-17-oic acid methyl ester|Vinervin
C20H22N2O3 (338.16303419999997)
abyssinone A
A chromenol that is 2,2-dimethyl-2H-chromen-8-ol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl group at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.
4,5-dimethoxy-3,4-methylenedioxy-2,7-cyclolign-7-ene|pycnanthulignene B
5-Deoxy-3-C-hydroxymethyllyxose,9CI-Benzyl glycoside, 2,3-di-O-Ac
2-Hydroxy-9,20-cyclo-9,10-secoabieta-1,5,8,10(20),13-pentene-3,7,11,12-tetrone
5,7-Dihydroxy-2-(6-phenylhexyl)-gamma-chromene-4-one
angustilobine B, (rac)-
C20H22N2O3 (338.16303419999997)
A natural product found in Alstonia spatulata.
3beta,4alpha,10beta-trihydroxy-8alpha-acetoxyguai-1,11(13)-dien-6alpha,12-olide
9-(3,7-dimethyl-2,6-octadienyl)-4-hydroxy-7H-furo[3,2-gamma][1]benzopyran-7-one
1alpha,3alpha,4beta-trihydroxy-8alpha-acetoxyguai-9,11(13)-dien-6alpha,12-olide
(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
(2S)-2,4-dihydroxy-2,2-dimethylpyrano-(7,8:6,5)flavanone|artotonin 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)
3-(2,4-Dihydroxy-5-prenylphenyl)-7-hydroxy-4H-1-benzopyran-4-one
4-dehydro-3-hydroxyterphenyllin
A para-terphenyl that is the 4-dehydro derivative of 3-hydroxyterphenyllin. It has been isolated from Aspergillus taichungensis.
kopsihainanine B|N1-decarbomethoxy chanofruticosinic acid
C20H22N2O3 (338.16303419999997)
5,7-dihydroxy-8-(2-methyl-butyryl)-4-phenyl-chromen-2-one|5,7-Dihydroxy-8-(2-methylbutanoyl)-4-phenyl-2H-chromen-2-one|5,7-dihydroxy-8-(2-methylbutyryl)-4-phenylcoumarin
(4S)-3,4-dihydro-5-hydroxy-4-{[(1R)-1,2,3,4-tetrahydro-5-hydroxy-4-oxonaphthalen-1-yl]oxy}naphthalen-1(2H)-one|juglanone A
3-(2,4-Dihydroxyphenyl)-6-(1,1-dimethylallyl)-7-hydroxy-2H-1-benzopyran-2-one
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
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.
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
(1S*,2R*,5R*,6R*,7S*,8R*,9R*,10S*)-9-acetoxy-2,8,10-trihydroxyguaia-3,11(13)-diene-6,12-olide
(Z,Z)-N,N-<1-<(4-hydroxyphenyl)methylene>-2-<(4-methoxyphenyl)methylene>-1,2-ethanediyl>bis-formamide|1-(p-Hydroxyphenyl)-4-(p-methoxyphenyl)-2,3-diformamidobuta-1,3-diene
C19H18N2O4 (338.12665080000005)
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
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)
(E)-3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxy-3-indolyl)ethyl]acrylamide
C19H18N2O4 (338.12665080000005)
15ADON
15-acetyldeoxynivalenol is a trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-15. A skin and eye irritant, along with its 3-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. It has a role as an epitope and a mycotoxin. It is functionally related to a deoxynivalenol. 15-Acetyldeoxynivalenol is a natural product found in Fusarium culmorum and Fusarium graminearum with data available. A trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-15. A skin and eye irritant, along with its 3-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
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].
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].
15-Acetyldeoxynivalenol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
3-Acetyldeoxynivalenol
A trichothecene mycotoxin that is deoxynivalenol acetylated on the oxygen at C-3. A skin and eye irritant, along with its 15-acetyl regioisomer and its parent deoxynivalenol it is considered among the most commonly and widely distributed cereal contaminants. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE Reference Standard (Level 1)
Chalcone base + 2O, 1MeO, 1Prenyl or Licochalcone A (Not validated)
Annotation level-3
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
15-Acetylvomitoxin
3-Acetyl DON
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
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
O-Acetylcyclocalopin A
(R)-2-(2-BROMOPHENYL)-4-METHYL-4,5-DIHYDROOXAZOLE
C17H22O5S (338.11878820000004)
4-[4-(2-Phenyl-2-propanyl)phenoxy]phthalonitrile
C23H18N2O (338.14190579999996)
L-Leucyl-L-Leucine methyl ester hydrobromide
C13H27BrN2O3 (338.12049319999994)
2,5-BIS[(E)-1H-INDOL-3-YLMETHYLIDENE]CYCLOPENTANONE
C23H18N2O (338.14190579999996)
7-CHLORO-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
Urea, N-(3,5-dimethylphenyl)-N-[4-(3-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]- (9CI)
Poly(oxy-1,2-ethanediyl), .alpha.-isodecyl-.omega.-hydroxy-, phosphate, potassium salt
C12H28KO6P (338.12604980000003)
1-Trityl-1H-imidazole-4-carbaldehyde
C23H18N2O (338.14190579999996)
4-Amino-L-phenyl-N-phthalylalanine ethyl ester
C19H18N2O4 (338.12665080000005)
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
Moxnidazole
C13H18N6O5 (338.13386180000003)
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
1-(2-CHLOROPHENYL)-3-PHENYL-2-THIOUREA
C20H19ClN2O (338.11858340000003)
1,2-Dimethyl 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phthalate
C16H20BFO6 (338.13369020000005)
2,5-diethoxy-4-morpholin-4-ylaniline,dihydrochloride
ETHYL 1-BENZYL-4-HYDROXY-7-METHYL-2-OXO-1,2-DIHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
C19H18N2O4 (338.12665080000005)
2-(((BENZYLOXY)CARBONYL)AMINO)-3-((TERT-BUTOXYCARBONYL)AMINO)PROPANOIC ACID
(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)
3 5-di-tert-butylphenyl trifluoromethan&
C15H21F3O3S (338.1163432000001)
1,1-BIS(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHANOL
1-TRITYL-1H-PYRAZOLE-4-CARBALDEHYDE
C23H18N2O (338.14190579999996)
trimetazidine dihydrochloride
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1-TRITYLIMIDAZOLE-2-CARBOXALDEHYDE
C23H18N2O (338.14190579999996)
N6-DiMethylaMinoMethylidene isoguanosine
C13H18N6O5 (338.13386180000003)
2-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride hydrate
3-[4-(benzylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
C18H18N4O3 (338.13788380000005)
1-Fmoc-3-Amino-3-(hydroxymethyl)pyrrolidine
C20H22N2O3 (338.16303419999997)
N-[(1H-Indol-3-yl)acetyl]-L-tyrosine
C19H18N2O4 (338.12665080000005)
2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
3,5-Pyrazolidinedione, 4-butyl-1,2-diphenyl-4-(hydroxymethyl)-
C20H22N2O3 (338.16303419999997)
Pseudocolumbamine
C20H20NO4+ (338.13922600000006)
A natural product found in Annona glabra.
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)
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-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
C18H18N4OS (338.12012580000004)
5-chloro-N,6-dimethyl-N-phenethyl-2-(pyridin-2-yl)pyrimidin-4-amine
2-Propenoic acid, 3-[3-methoxy-4-[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester
C16H26O4Si2 (338.13695559999996)
CIMOXATONE
C19H18N2O4 (338.12665080000005)
D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
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.
Dehydrocorydalmine
C20H20NO4+ (338.13922600000006)
A natural product found in Annona glabra.
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
6-Hydroxyindole-3-acetylphenylalanine
C19H18N2O4 (338.12665080000005)
[(1R,2R,3S,10R)-3,10-dihydroxy-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-2-yl]methyl acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
[(1R,2R,3S,10R)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2-oxirane]-10-yl] acetate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
n-(6-Hydroxyindol-3-ylacetyl)-phenylalanine
C19H18N2O4 (338.12665080000005)
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
(2S)-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]-3-phenylpropanoic acid
C19H18N2O4 (338.12665080000005)
N-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]-N-ethylformamide
C13H18N6O5 (338.13386180000003)
2-(2-Cyclopropylhydrazinyl)-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
C13H18N6O5 (338.13386180000003)
(-)-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.
N,N-((1Z,3Z)-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
C19H18N2O4 (338.12665080000005)
A natural product found in Aspergillus fumigatus and Streptomyces peucetius.
3-[6-(4-Aminophenyl)-2-phenyl-4-pyrimidinyl]aniline
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
C19H18N2O4 (338.12665080000005)
5-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[2,3-d]pyrimidinamine
N-[(4-tert-butylphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
C20H22N2O3 (338.16303419999997)
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
C19H18N2O4 (338.12665080000005)
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide
C19H18N2O4 (338.12665080000005)
N-(3,5-dimethylphenyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)-3-pyrrolecarboxamide
Diethyl 2-(furan-2-yl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Dehydrocorytenchine
C20H20NO4+ (338.13922600000006)
A natural product found in Annona glabra.
6,7-diethoxy-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
C16H22N2O4S (338.13002120000004)
1-[2-(piperidin-1-yl)ethyl]-N-[(E)-thiophen-2-ylmethylidene]-1H-benzimidazol-2-amine
2-[3-(4-Morpholinyl)propylamino]-9-xanthenone
C20H22N2O3 (338.16303419999997)
4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide
C18H18N4OS (338.12012580000004)
4-[4-[2-Hydroxy-3-(4-morpholinyl)propoxy]phenyl]benzonitrile
C20H22N2O3 (338.16303419999997)
N-{(E)-[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
C18H18N4O3 (338.13788380000005)
2-(2-allylphenoxy)-N-(2-ethoxybenzylidene)acetohydrazide
C20H22N2O3 (338.16303419999997)
2-(2-Hydroxyethylamino)-3-(4-methoxyanilino)naphthalene-1,4-dione
C19H18N2O4 (338.12665080000005)
7-methyl-N-[4-(4-morpholinyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
2-[2-(Dimethylamino)ethylthio]-6,6-dimethyl-5,8-dihydropyrano[4,5]thieno[1,2-c]pyrimidin-4-amine
4-Pyridinecarboxylic acid [2-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
C19H18N2O4 (338.12665080000005)
2-[6-Amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
C18H18N4O3 (338.13788380000005)
(E)-1-[3-[2-(3-Methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
C18H18N4O3 (338.13788380000005)
(2E)-1-benzimidazolyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
C19H18N2O4 (338.12665080000005)
(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-N-benzylprop-2-enamide
C19H18N2O4 (338.12665080000005)
(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)
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)
(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)
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)
methyl 6-[(2E)-2-[(4-hydroxy-2,6-dimethoxyphenyl)methylidene]hydrazinyl]-6-oxohexanoate
N-[11-amino-6-[(E)-3-methoxyprop-2-enoyl]-2,7-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),10-pentaen-9-ylidene]-2-methylpropanamide
C18H18N4O3 (338.13788380000005)
2,3,10-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-one
C20H20NO4+ (338.13922600000006)
2,9,10-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one
C20H20NO4+ (338.13922600000006)
methyl (3beta,19Z)-12-hydroxy-2,16-didehydrocur-19-en-17-oate
C20H22N2O3 (338.16303419999997)
(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
Benzylmalonic acid, bis(trimethylsilyl) ester
C16H26O4Si2 (338.13695559999996)
[2-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate
Succinic acid, phenyl-, bis(trimethylsilyl) ester
C16H26O4Si2 (338.13695559999996)
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)
Acetyldeoxynivalenol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(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
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)
N-[(6-hydroxyindol-3-yl)acetyl]phenylalanine
C19H18N2O4 (338.12665080000005)
An N-acyl-amino acid obtained by formal condensation of the carboxy group of 6-hydroxyindole-3-acetic acid with the amino group of phenylalanine.
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.