Exact Mass: 338.1337
Exact Mass Matches: 338.1337
Found 500 metabolites which its exact mass value is equals to given mass value 338.1337,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Jatrorrhizine
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
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.
Alamarine
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.
2,2,4-Trimethyl-3-(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Aziridyl benzoquinone
D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
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)
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.
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.
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)
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
4-Hydroxyderricin
7-O-Methylbavachin
Cimoxatone
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
N-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]-N-ethylformamide
Palmatrubin
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.
Citflavanone
Broussoaurone A
Falciformin
15-Acetyl-deoxynivalenol
Mycotoxin production by Fusarium graminearum and Gibberella zeae.
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].
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.
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
5,6-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
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
6alpha-hydroxy-4,8-dimethoxycarbonyl-pinguis-11,6-olide
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
5,7-Dihydroxy-2-(6-phenylhexyl)-gamma-chromene-4-one
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
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.
2,5-bis-(3,4-methylenedioxiphenyl)-3,4-dimethyltetrahydrofuran
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
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
(2S)-2,6-bis(p-hydroxyphenethyl)-2,3-dihydropyran-4-one|(3S)-3,7-anhydro-6,7-dehydroericanone
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
(E)-3-(3,4-Dihydroxyphenyl)-N-[2-(5-hydroxy-3-indolyl)ethyl]acrylamide
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
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
(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]
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
2,5-BIS[(E)-1H-INDOL-3-YLMETHYLIDENE]CYCLOPENTANONE
7-CHLORO-N-(4-(PYRROLIDIN-1-YLMETHYL)PYRIDIN-2-YL)ISOQUINOLIN-3-AMINE
Poly(oxy-1,2-ethanediyl), .alpha.-isodecyl-.omega.-hydroxy-, phosphate, potassium salt
N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(phenylmethoxy)carbonyl]amino]-D-alanine
Moxnidazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
1,2-Dimethyl 4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phthalate
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
2-(((BENZYLOXY)CARBONYL)AMINO)-3-((TERT-BUTOXYCARBONYL)AMINO)PROPANOIC ACID
(R)-TERT-BUTYL 2-((4-CHLOROBENZYL)CARBAMOYL)PYRROLIDINE-1-CARBOXYLATE
trimetazidine dihydrochloride
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
3-[4-(benzylamino)-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
N-(3,4-dimethylphenyl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]acetamide
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
CIMOXATONE
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.
6-Hydroxy-3-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde
[(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
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
N-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-hydroxymethyl]-N-ethylformamide
2-(2-Cyclopropylhydrazinyl)-9-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
N,N-((1Z,3Z)-1-(4-hydroxyphenyl)-4-(4-methoxyphenyl)buta-1,3-diene-2,3-diyl)diformamide
A natural product found in Aspergillus fumigatus and Streptomyces peucetius.
N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1H-quinoline-4-carboxamide
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
5-[(4-ethoxyphenoxy)methyl]-N-(3-pyridinyl)-2-furancarboxamide
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
6,7-diethoxy-3-(3-methoxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
4-(1,3-benzothiazol-2-yl)-N-phenyl-1-piperazinecarboxamide
N-{(E)-[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
2-(2-Hydroxyethylamino)-3-(4-methoxyanilino)naphthalene-1,4-dione
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
2-[6-Amino-5-cyano-4-(4-ethylphenyl)-2,4-dihydropyrano[2,3-c]pyrazol-3-yl]acetic acid methyl ester
(E)-1-[3-[2-(3-Methoxyphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
(2E)-1-benzimidazolyl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
(Z)-2-acetamido-3-(1,3-benzodioxol-5-yl)-N-benzylprop-2-enamide
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
2,3,10-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-one
2,9,10-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one
(E)-3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
[2-Acetyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate
AZIRIDYL BENZOQUINONE
D009676 - Noxae > D009153 - Mutagens D000970 - Antineoplastic Agents
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
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.
N-[(6-hydroxyindol-3-yl)acetyl]phenylalanine
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.
4'-0-Methylbavachalcone
4'-O-Methylbavachalcone is a natural chalcone derivative found in various plants, including the genus Glycyrrhiza, which is commonly known for its sweet-tasting roots. This compound is characterized by its distinctive yellow color and has been the subject of interest in the field of pharmacology due to its potential biological activities. Chemically, 4'-O-Methylbavachalcone is classified as a flavonoid, a large family of compounds known for their diverse biological effects. Its structure consists of two aromatic rings (A and B rings) connected by a three-carbon chain, which includes a conjugated double bond. The presence of the methoxy group (-OCH3) at the 4' position on the B ring differentiates it from other chalcones and contributes to its unique properties. In terms of biological activity, 4'-O-Methylbavachalcone has been reported to possess several pharmacological effects, including anti-inflammatory, antioxidant, and anticancer properties. Its anti-inflammatory effects are attributed to its ability to inhibit the production of inflammatory mediators and modulate signaling pathways involved in inflammation. As an antioxidant, it helps to scavenge free radicals and reduce oxidative stress, which is associated with various diseases, including cancer. Moreover, 4'-O-Methylbavachalcone has shown promise as a potential anticancer agent. It has been found to induce apoptosis (programmed cell death) in cancer cells and inhibit the growth of tumor cells in vitro and in vivo. The exact mechanisms underlying its anticancer effects are still under investigation, but they may involve the modulation of multiple signaling pathways involved in cell proliferation, apoptosis, and angiogenesis. Overall, 4'-O-Methylbavachalcone is an interesting compound with a diverse range of biological activities, making it a potential candidate for further research and development in the field of pharmacology.
1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
(2r,3s,5r,8r,10s,12r)-12-hydroxy-5,10,15-trimethyl-14-oxo-4,9,13-trioxatetracyclo[10.3.0.0³,⁵.0⁸,¹⁰]pentadec-1(15)-en-2-yl acetate
(1s,2'r,3'ar,4's,6s,7'as)-2'-hydroxy-2',4,4'-trimethyl-5,7'-dioxo-3'a,4',5',7'a-tetrahydrospiro[cyclohexane-1,3'-furo[2,3-c]pyra]-3-en-6-yl acetate
(3ar,4s,6as,8r,9r,9ar,9bs)-6a,8,9-trihydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,7h,8h,9ah,9bh-azuleno[4,5-b]furan-4-yl acetate
(3r,4as,5s,10ar)-6,9-dihydroxy-3,5,7-trimethoxy-3-methyl-1h,4h,4ah,5h,10ah-naphtho[2,3-c]pyran-10-one
(2s,5s)-2-[(r)-hydroxy(4-hydroxyphenyl)methyl]-5-isopropyl-3,5-dimethoxypyrazine-2,6-diol
5-methoxy-7-[(3-methylbut-2-en-1-yl)oxy]-2-phenyl-2,3-dihydro-1-benzopyran-4-one
4-methoxy-5-methyl-13-(3-methylbut-2-en-1-yl)-2-oxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6,12-diol
(2s,3r,4s,5s,6r)-2-[(2,2-dimethylchromen-7-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
(2s)-5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-3h-1-benzopyran-4-one
(2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-{[(1r,4s,5s,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxy}oxane-3,4,5-triol
1,8-dihydroxy-3-methoxy-6-methyl-2-[(1e)-3-methylbut-1-en-1-yl]-10h-anthracen-9-one
3'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-10'-yl acetate
methyl 2-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-(1-hydroxypropan-2-yl)oxolane-2-carboxylate
6-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)-2-[(1e)-2-phenylethenyl]benzoic acid
(1s,7r,9r,10r)-7-(furan-3-yl)-9-methyl-3-methylidene-6,16-dioxatetracyclo[8.7.0.0¹,¹⁴.0⁴,⁹]heptadeca-4,13-dien-15-one
3-(4-hydroxy-2-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-2h-chromen-7-ol
5,7-dihydroxy-8-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-2,3-dihydro-1-benzopyran-4-one
(7r)-7-amino-4-hydroxy-2-[hydroxy(3-methoxy-6-methylidene-2-oxocyclohexylidene)methyl]-2-methyl-6,7-dihydro-5h-1,3-oxazocin-8-one
{9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl}methyl (2z)-2-methylbut-2-enoate
(1r,12r)-23,23-dimethyl-5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.0²,¹⁰.0⁴,⁸.0¹³,²¹.0¹⁵,¹⁹]tricosa-2,4(8),9,13,15(19),20-hexaen-23-ium
11-methoxy-2,2,12-trimethyl-5h,6h-naphtho[2,1-f]chromene-8,9-diol
n-[11-imino-6-(3-methoxyprop-2-enoyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1,3,5,8(12),9-pentaen-9-yl]-2-methylpropanimidic acid
{7-hydroperoxy-4-hydroxy-3,6-dimethylidene-2-oxo-3ah,4h,5h,7h,8h,9h,11ah-cyclodeca[b]furan-10-yl}methyl acetate
1,2:3,4-diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide; (1β,2β,3β,4β,5α,6α,8α,10α)-form,11β,13-dihydro,8-ac
{"Ingredient_id": "HBIN000580","Ingredient_name": "1,2:3,4-diepoxy-8,10-dihydroxy-11(13)-guaien-12,6-olide; (1\u03b2,2\u03b2,3\u03b2,4\u03b2,5\u03b1,6\u03b1,8\u03b1,10\u03b1)-form,11\u03b2,13-dihydro,8-ac","Alias": "NA","Ingredient_formula": "C17H22O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "92678-98-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9598","PubChem_id": "NA","DrugBank_id": "NA"}
1,2:3,4-diepoxy-8,10-dihydroxy-12,6-guaianolide; (1β,2β,3β,4β,6α,8α,10α,11α)-form,8-ac
{"Ingredient_id": "HBIN000581","Ingredient_name": "1,2:3,4-diepoxy-8,10-dihydroxy-12,6-guaianolide; (1\u03b2,2\u03b2,3\u03b2,4\u03b2,6\u03b1,8\u03b1,10\u03b1,11\u03b1)-form,8-ac","Alias": "NA","Ingredient_formula": "C17H22O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9597","PubChem_id": "NA","DrugBank_id": "NA"}
4'-o-methylglabridin
{"Ingredient_id": "HBIN010785","Ingredient_name": "4'-o-methylglabridin","Alias": "CHEMBL511536; SCHEMBL13794191; 4'-methoxyglabridin","Ingredient_formula": "C21H22O4","Ingredient_Smile": "CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)OC)O)C","Ingredient_weight": "338.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16630","TCMID_id": "14458","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "9927807","DrugBank_id": "NA"}
atrorrhizin
{"Ingredient_id": "HBIN017335","Ingredient_name": "atrorrhizin","Alias": "NA","Ingredient_formula": "C20H20NO4+","Ingredient_Smile": "COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33563","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bacachinin
{"Ingredient_id": "HBIN017479","Ingredient_name": "bacachinin","Alias": "NA","Ingredient_formula": "C21H22O4","Ingredient_Smile": "CC(=CCC1=C(C=C2C(=C1)C(=O)CC(O2)C3=CC=C(C=C3)O)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30648","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
