Exact Mass: 338.1542816
Exact Mass Matches: 338.1542816
Found 297 metabolites which its exact mass value is equals to given mass value 338.1542816,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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.
beta-Cyclopiazonate
C20H22N2O3 (338.16303419999997)
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
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A hapalindole that is hapalindole U in which the pro-R hydrogen at position 8 has been replaced by a chlorine.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].
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)
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
Picrinine
C20H22N2O3 (338.16303419999997)
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].
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].
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
5,6-Dihydro-11-methoxy-2,2,12-trimethyl-2H-phenanthro[2,1-b]pyran-8,9-diol
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
(-)-fisherindole I|12-epi-fischerindole I|12-epi-fischerindole I isonitrile
(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
11-hydroxy-cura-2(16),19-dien-17-oic acid methyl ester|Vinervin
C20H22N2O3 (338.16303419999997)
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
(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
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
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)
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
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].
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
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
2-(4-BOC-PIPERAZINYL)-2-(3-FLUORO-PHENYL)ACETIC ACID
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
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
2-(((BENZYLOXY)CARBONYL)AMINO)-3-((TERT-BUTOXYCARBONYL)AMINO)PROPANOIC ACID
1H-PYRROLO[2,3-B]PYRIDINE, 4-CHLORO-5-METHOXY-1-[TRIS(1-METHYLETHYL)SILYL]-
C17H27ClN2OSi (338.15810819999996)
2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
1,1-BIS(4-DIMETHYLAMINOPHENYL)-2,2,2-TRIFLUOROETHANOL
2-Isopropoxy-5-methyl-4-(piperidin-4-yl)aniline dihydrochloride hydrate
1-Fmoc-3-Amino-3-(hydroxymethyl)pyrrolidine
C20H22N2O3 (338.16303419999997)
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)
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
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
(-)-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
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
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-[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
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)
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)
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
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
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)
(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)
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.
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-(2,4-dihydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1h-indol-3-yl]methyl}-5h-pyrrol-3-yl)ethanone
C20H22N2O3 (338.16303419999997)
1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
methyl (11s,12z,17r)-12-ethylidene-18-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
C20H22N2O3 (338.16303419999997)
methyl (1s,11s,12r,17r)-18-ethylidene-12-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
C20H22N2O3 (338.16303419999997)
methyl (13z)-13-(2-hydroxyethylidene)-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
C20H22N2O3 (338.16303419999997)
(2r,4s,5r,7s)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene
(1'r,2'r,3s,7'r,9'r)-6'-acetyl-1-methyl-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-2-one
C20H22N2O3 (338.16303419999997)
(2s,3r,4r,5r,7s)-5-chloro-4-ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),9(16),10,12-tetraene
(2s,5s)-2-[(r)-hydroxy(4-hydroxyphenyl)methyl]-5-isopropyl-3,5-dimethoxypyrazine-2,6-diol
n-{8-chloro-9-ethenyl-6,6,9-trimethyl-5h,6ah,7h,8h-indeno[2,1-b]indol-10-yl}methanimine
(1r,4s,12r,13r,21s)-20-oxo-5,15-diazahexacyclo[11.5.2.1¹,¹².0⁴,¹².0⁶,¹¹.0¹⁵,²¹]henicosa-6,8,10-triene-4-carboxylic acid
C20H22N2O3 (338.16303419999997)
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)-5,7-dihydroxy-2-methyl-6-(3-methylbut-2-en-1-yl)-2-phenyl-3h-1-benzopyran-4-one
8-chloro-9-ethenyl-10-isocyano-6,6,9-trimethyl-5h,6ah,7h,8h,10h,10ah-indeno[2,1-b]indole
1,8-dihydroxy-3-methoxy-6-methyl-2-[(1e)-3-methylbut-1-en-1-yl]-10h-anthracen-9-one
methyl (1s,11s,12r,17r,18e)-18-ethylidene-12-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6,9-tetraene-10-carboxylate
C20H22N2O3 (338.16303419999997)
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
methyl 13-ethylidene-5-hydroxy-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6,8-tetraene-18-carboxylate
C20H22N2O3 (338.16303419999997)
(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
methyl (1s,10s,11s,12z,17s)-12-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.0¹,⁹.0³,⁸.0¹⁴,¹⁷]octadeca-3,5,7-triene-10-carboxylate
C20H22N2O3 (338.16303419999997)
methyl (1r,9r,11s,14e,17s)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.1⁹,¹⁵.0¹,⁹.0³,⁸.0¹²,¹⁷]nonadeca-3,5,7-triene-19-carboxylate
C20H22N2O3 (338.16303419999997)
11-methoxy-2,2,12-trimethyl-5h,6h-naphtho[2,1-f]chromene-8,9-diol
(1r,11s,12e,17s)-12-ethylidene-6-hydroxy-5-methoxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
C20H22N2O3 (338.16303419999997)
methyl (1s,10r,11s,13e,17s)-13-ethylidene-2-oxo-9,14-diazapentacyclo[9.5.2.0¹,⁹.0³,⁸.0¹⁴,¹⁷]octadeca-3,5,7-triene-10-carboxylate
C20H22N2O3 (338.16303419999997)