Exact Mass: 414.1859
Exact Mass Matches: 414.1859
Found 500 metabolites which its exact mass value is equals to given mass value 414.1859
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
LSM-1839
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
Neoisostegane
Garcinone C
Garcinone C is a member of xanthones. Garcinone C is a natural product found in Garcinia xipshuanbannaensis, Garcinia mangostana, and Hypericum perforatum with data available. From Garcinia mangostana (mangosteen). Garcinone C is found in fruits and purple mangosteen. Garcinone C is found in fruits. Garcinone C is from Garcinia mangostana (mangosteen Garcinone C, a xanthone derivative, is a natural compound extracted from Garcinia oblongifolia that is used as an anti-inflammatory, astringency and granulation-promoting medicine, and has potential cytotoxic effects on certain cancers. Garcinone C stimulates the expression levels of ATR and 4E-BP1, while efficiently inhibiting the expression levels of cyclin B1, cyclin D1, cyclin E2, cdc2, Stat3 and CDK7. Garcinone C significantly inhibits cell viability of the human Nasopharyngeal carcinoma (NPC) cell lines CNE1, CNE2, HK1 and HONE1 in a time? and dose?dependent manner[1].
Heteroflavanone C
Heteroflavanone C is found in fruits. Heteroflavanone C is a constituent of the root bark of Artocarpus heterophyllus (jackfruit). Constituent of the root bark of Artocarpus heterophyllus (jackfruit). Heteroflavanone C is found in jackfruit and fruits.
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate is found in herbs and spices. Consit. of Myristica fragrans (nutmeg
(1S,2S,13R,21S)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
1,4-Bis((m-methoxyphenoxy)acetyl)piperazine
2-[[(2S)-1-[[(2S)-2-Carboxy-2-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-phenylbutanoic acid
Momelotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
3-[2-[4-(3-Chloro-2-methylphenyl)piperazin-1-yl]ethyl]-5,6-dimethoxy-2H-indazole
3-(5-(4-(1H-Imidazol-1-yl)phenyl)-1-(4-carbamoyl-2-methylphenyl)-1H-pyrrol-2-yl)propanoic acid
Heteroflavanone C
11-hydroxy-12-methoxy-19alpha-methyl-2-oxo-(20alpha)-formosanane-16-carboxylic acid methyl ester|O11-demethyl-majdine|Vinerinin|vinerinine
(5alpha,16beta)-14,16-Dihydroxy-3,19-dioxobufa-20,22-dienolide
3-(2-Methyl-2-propenoyl),6-tigloyl-3,6-Dihydroxyfuranoeremophilan-9-one
(1R*,2R*,5Z,10S*,11Z,14S*)-2,14-diacetoxybriara-5,7,11,17-tetraen-3-one
(7S,8R,1R,2R,3S)-Delta8-2acetoxy-3,3,5-trimethoxy-4,5-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan|(7S,8R,1S,2S,3R)-Delta8-2-acetoxy-3,5-dimethoxy-3,4-methylenedioxy-1,2,3,4-tetrahydro-4-oxo-7.3,8.1-neolignan
14,15beta-Epoxy-3beta,5-dihydroxy-19-oxo-5beta,14beta-bufa-20,22-dienolid|14,15beta-epoxy-3beta,5-dihydroxy-19-oxo-5beta,14beta-bufa-20,22-dienolide|bufotalinin
(7R,8R,3R)-7-acetoxy-3,4-dimethoxy-3,4-methylenedioxy-6-oxo-Delta-1,4,8-8.3-lignan|7-Ac-2-Allyl-4-[2-hydroxy-1-methyl-2-(3,4-metylenedioxyphenyl)ethyl]4,5-dimethoxy-2,5-cyclohexadien-1-one
3,6,7-Trimethoxy-4,5-diaethoxy-flavon|3,6-Dimethoxy-4,5,7-triethoxy-flavon|5,7,4-Triaethoxy-3,6-dimethoxy-flavon|5,7-diethoxy-2-(4-ethoxy-3-methoxy-phenyl)-6-methoxy-chromen-4-one|6,3-Dimethoxy-5,7,4-triethoxy-flavon
(7R,8S,7S,8R)-4-hydroxy-4-methoxy-7,9-epoxylignane-7,9-diyl diacetate|(alpha3S,3R,4S,5R)-tetrahydro-5-(4-hydroxyphenyl)-alpha3-(4-methoxyphenyl)furan-3,4-dimethanol 3,4-diacetate|acerifuranoid A
(2S,3S)-4,5-dehydro-4,5-methylenedioxy-3,4,5,3-tetramethoxy-2,5-epoxylignan|beilschmin C
(1R,2S,5R,6R)-2,6-bis(3-ethyl-4-hydroxy-5-methoxyphenyl)-3,7-dioxabicyclo[3.3.0]octane|4,4-[(1R,3aR,4S,6aR)-tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl]bis[2-ethyl-6-methoxyphenol]
1,3,5,6-tetrahydroxy-7-(3-methylbut-2-enyl)-8-(3-hydroxy-3-methylbutyl)xanthone|garcinexanthone D
(7S,8S,R-biar)-6,6,7,8-tetrahydro-12,13-methylenedioxy-1,2,3,14-tetramethoxy-7,8-dimethyldibenzo[a,c]cycloocten-9-one|(7S,8S,Ra)-6,6,7,8-tetrahydro-12,13-methylenedioxy-1,2,3,14-tetramethoxy-7,8-dimethyldibenzo[a,c]cycloocten-9-one
1beta-hydroxyl-15-O-(p-methoxyphenylacetyl)-5alpha,6beta,11betaH-eudesma-3-en-12, 6alpha-olide
1,3,7,9-tetrahydroxy-2,8-dimethyl-4-(2-methylbutanoyl)-6-(2-methylpropionyl)dibenzofuran
1,3,7,9-tetrahydroxy-4,6-dimethyl-2-(2-methylbutanoyl)-8-(2-methylpropionyl)-dibenzofuran
(Ra)-3,3,4,5-tetramethoxy-4,5-methylenedioxypyramidatin|(Sa)-3,3,4,5-tetramethoxy-4,5-methylenedioxypyramidatin
(aS)-(5R,6S,7S)-5,6,7,8-tetrahydro-5,13,14-trimethoxy-6,7-dimethyl-1,3-benzodioxolo[5,6:3,4]cycloocta[1,2-f][1,3]benzodioxole|methylgomisin R
fukanedone C|rel-3(S)-(2,4-dihydroxybenzoyl)-4(R),5(R)-dimethyl-5-[4,8-dimethyl-4(E)-7-nonadien-6-onyl]tetrahydro-2-furanone
8alpha,9alpha-epoxy-4,4,14alpha-trimethyl-3,7,11,15,20-pentaoxo-5alpha-pregnane
N-methylhydrasteine hydroxy lactam|N-methylhydrasteine hydroxylactam
1alpha,6alpha-diacetoxy-ent-kaura-9(11),16-dien-12,15-dione
13,14-dioxo-11-hydroxy-7-methoxy-hassane-8,11-15-trien-(22,6)-olide
Alpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose|Me glycoside, 2-benzyl-alphaalpha-Pyranose-2-O-alpha-L-Fucopyranosyl-L-fucose
alpha,alpha-dihydro,3,5,2-trimethoxy-3-hydroxy-4-acetyl-4-isopentenylstilbene
7-Formyl-3-methylene-6E-octenol-O-beta-D-(2,6-O-diacetylglucopyranoside)|7-Formyl-3-methylene-6E-octenol-O-beta-D-<2,6-O-diacetylglucopyranoside>
5-[(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Schisanlignone C
Eplerenone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists C - Cardiovascular system > C03 - Diuretics > C03D - Aldosterone antagonists and other potassium-sparing agents > C03DA - Aldosterone antagonists C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate
6,8-dihydroxy-2,2,4,4-tetramethyl-5-(2-methylpropanoyl)-9-propan-2-yl-9H-xanthene-1,3-dione
C24H30O6_Methyl 3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-8-hydroxy-6a,8-dimethyl-6-oxo-6a,8,9,9a-tetrahydro-6H-furo[2,3-h]isochromene-9-carboxylate
Naltrindole
D002492 - Central Nervous System Depressants > D009294 - Narcotics > D053610 - Opiate Alkaloids D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D009292 - Narcotic Antagonists
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based: Match]
[1-(6-hydroxy-1-methoxy-8-methyl-12-oxo-10H-benzo[b][1,5]benzodioxocin-2-yl)-3-methylbutyl] acetate [IIN-based on: CCMSLIB00000845212]
Ala Gly His Met
Ala Gly Met His
Ala His Gly Met
Ala His Met Gly
Ala His Ser Thr
Ala His Thr Ser
Ala Met Gly His
Ala Met His Gly
Ala Met Pro Pro
Ala Asn Asn Pro
Ala Asn Pro Asn
Ala Pro Met Pro
Ala Pro Asn Asn
Ala Pro Pro Met
Ala Ser His Thr
Ala Ser Thr His
Ala Thr His Ser
Ala Thr Ser His
Cys Gly His Val
Cys Gly Val His
Cys His Gly Val
Cys His Val Gly
Cys Pro Pro Val
Cys Pro Val Pro
Cys Val Gly His
Cys Val His Gly
Cys Val Pro Pro
Asp Pro Pro Ser
Asp Pro Ser Pro
Asp Ser Pro Pro
Gly Ala His Met
Gly Ala Met His
Gly Cys His Val
Gly Cys Val His
Gly His Ala Met
Gly His Cys Val
Gly His Met Ala
Gly His Thr Thr
Gly His Val Cys
Gly Met Ala His
Gly Met His Ala
Gly Asn Pro Gln
Gly Asn Gln Pro
Gly Pro Asn Gln
Gly Pro Gln Asn
Gly Gln Asn Pro
Gly Gln Pro Asn
Gly Thr His Thr
Gly Thr Thr His
Gly Val Cys His
Gly Val His Cys
His Ala Gly Met
His Ala Met Gly
His Ala Ser Thr
His Ala Thr Ser
His Cys Gly Val
His Cys Val Gly
His Gly Ala Met
His Gly Cys Val
His Gly Met Ala
His Gly Thr Thr
His Gly Val Cys
His Met Ala Gly
His Met Gly Ala
His Ser Ala Thr
His Ser Thr Ala
His Thr Ala Ser
His Thr Gly Thr
His Thr Ser Ala
His Thr Thr Gly
His Val Cys Gly
His Val Gly Cys
Met Ala Gly His
Met Ala His Gly
Met Ala Pro Pro
Met Gly Ala His
Met Gly His Ala
Met His Ala Gly
Met His Gly Ala
Met Pro Ala Pro
Met Pro Pro Ala
Asn Ala Asn Pro
Asn Ala Pro Asn
Asn Gly Pro Gln
Asn Gly Gln Pro
Asn Asn Ala Pro
Asn Asn Pro Ala
Asn Pro Ala Asn
Asn Pro Gly Gln
Asn Pro Asn Ala
Asn Pro Gln Gly
Asn Gln Gly Pro
Asn Gln Pro Gly
Pro Ala Met Pro
Pro Ala Asn Asn
Pro Ala Pro Met
Pro Cys Pro Val
Pro Cys Val Pro
Pro Asp Pro Ser
Pro Asp Ser Pro
Pro Gly Asn Gln
Pro Gly Gln Asn
Pro Met Ala Pro
Pro Met Pro Ala
Pro Asn Ala Asn
Pro Asn Gly Gln
Pro Asn Asn Ala
Pro Asn Gln Gly
Pro Pro Ala Met
Pro Pro Cys Val
Pro Pro Asp Ser
Pro Pro Met Ala
Pro Pro Ser Asp
Pro Pro Val Cys
Pro Gln Gly Asn
Pro Gln Asn Gly
Pro Ser Asp Pro
Pro Ser Pro Asp
Pro Val Cys Pro
Pro Val Pro Cys
Gln Gly Asn Pro
Gln Gly Pro Asn
Gln Asn Gly Pro
Gln Asn Pro Gly
Gln Pro Gly Asn
Gln Pro Asn Gly
Ser Ala His Thr
Ser Ala Thr His
Ser Asp Pro Pro
Ser His Ala Thr
Ser His Thr Ala
Ser Pro Asp Pro
Ser Pro Pro Asp
Ser Thr Ala His
Ser Thr His Ala
Thr Ala His Ser
Thr Ala Ser His
Thr Gly His Thr
Thr Gly Thr His
Thr His Ala Ser
Thr His Gly Thr
Thr His Ser Ala
Thr His Thr Gly
Thr Ser Ala His
Thr Ser His Ala
Thr Thr Gly His
Thr Thr His Gly
Val Cys Gly His
Val Cys His Gly
Val Cys Pro Pro
Val Gly Cys His
Val Gly His Cys
Val His Cys Gly
Val His Gly Cys
Val Pro Cys Pro
Val Pro Pro Cys
SU 11652
Garcinone C
Garcinone C, a xanthone derivative, is a natural compound extracted from Garcinia oblongifolia that is used as an anti-inflammatory, astringency and granulation-promoting medicine, and has potential cytotoxic effects on certain cancers. Garcinone C stimulates the expression levels of ATR and 4E-BP1, while efficiently inhibiting the expression levels of cyclin B1, cyclin D1, cyclin E2, cdc2, Stat3 and CDK7. Garcinone C significantly inhibits cell viability of the human Nasopharyngeal carcinoma (NPC) cell lines CNE1, CNE2, HK1 and HONE1 in a time? and dose?dependent manner[1].
Armillaripin
1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate
4-O-Methylmelleolide
Armillarin
Clausarinol
(R)-BENZYL (1-(4-((1H-PYRROLO[2,3-B]PYRIDIN-4-YL)CARBAMOYL)PHENYL)ETHYL)CARBAMATE
GR 159897
GR 159897 is a highly potent, selective, competitive, brain-penetrated non-peptide neurokinin 2 (NK2) receptor antagonist. GR 159897 has little or no affinity for NK1 and NK3 receptors. GR 159897 inhibits binding of [3H]GR100679 to human NK2 (hNK2)-CHO cells and rat colon membranes with pKis of 9.51 and 10, respectively. Antagonizes bronchoconstriction. Anxiolytic-like and anti-tumor effects[1][2].
diethyl 2-(2-(2-(2-methacrylamidoacetamido)acetamido)acetamido)malonate
9β,11β-Epoxy-17,21-dihydroxy-16β-methylpregna-1,4-diene-3,20-dione 21-Acetate
1,3-diisocyanato-2-methylbenzene,2-ethyl-2-(hydroxymethyl)propane-1,3-diol,2-(2-hydroxyethoxy)ethanol
7β-Eplerenone Impurity
3-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-9-ethyl-3H-carbazolium chloride
4-Methoxyphenyl 3-O-Allyl-4,6-O-benzylidene-β-D-galactopyranoside
(6R,7S)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-5,8-epoxybenzo[3,4]cycloocta[1,2:4,5]benzo[1,2-d][1,3]dioxole
(1-(2-Morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
8-[[4-[2-Furanyl(oxo)methyl]-1-piperazinyl]methyl]-1,3-dimethyl-7-propylpurine-2,6-dione
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate
5-[(Z)-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
N-{2-[6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-YL]ethyl}acetamide
Momelotinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
N1-citryl-N3-dec-2-enoyl-N3-hydroxy-1,3-diaminopropane
5-Fluoro-3-[2-[4-methoxy-4-[[(R)-phenylsulphinyl]methyl]-1-piperidinyl]ethyl]-1H-indole
2-amino-4-(2-ethoxyphenyl)-7-methyl-5-oxo-6-(pyridin-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
methyl 3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-hydroxy-6a,8-dimethyl-6-oxo-9,9a-dihydrofuro[2,3-h]isochromene-9-carboxylate
Chaetoglobosin L
A macrocycle isolated from Chaetomium globosum and has been shown to exhibit antifungal and cytotoxic activity.
Ala-Asn-Asn-Pro
A tetrapeptide composed of an L-alanyl, two L-asparagyl units, and an L-proline joined by peptide linkages.
4-tert-butyl-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]benzamide
2-[(1S,2R,5S,9R,12S,16R)-2-hydroxy-1,5,12-trimethyl-11-oxo-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-7-en-5-yl]ethyl hydrogen sulfate
15-Benzyl-18-phenyl-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-N-(4-pyridin-4-yl-2-pyridinyl)butanamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
4-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
4-fluoro-N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-phenylethylamino)ethyl]-3-oxanyl]benzamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide
2-[(1S,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide
[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] undecanoate
methyl (1S,2S,9R,10R,11S,14S,15S,17S)-2,15-dimethyl-5,5-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2-oxolane]-9-carboxylate
2-(3-(4-Trimethylsilyloxybenzoyl)phenyl)propionic acid trimethylsilyl ester
2-(3-(3-Trimethylsilyloxybenzoyl)phenyl)propionic acid trimethylsilyl ester
JNJ-46281222
JNJ-46281222 is an metabotropic glutamate (mGlu) 2-selective, highly potent PAM (positive allosteric modulator) with nanomolar affinity (Kd = 1.7 nM) and a high modulatory potency (pEC50?= 7.71)[1].
methyl (1's,3r,4'as,5'as,10'as)-2,6-dihydroxy-7-methoxy-1'-methyl-1',4'a,5',5'a,7',8',10',10'a-octahydrospiro[indole-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate
(2r,3s,4as,11br)-3-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-2-yl acetate
(2r,3s,4r,6r)-3-(acetyloxy)-6-{[(2r)-6-oxo-2,3-dihydropyran-2-yl]methyl}-2-[(1e)-2-phenylethenyl]oxan-4-yl acetate
2-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-3-yl acetate
[2-(3,4-dimethoxyphenyl)-7-hydroxy-5-(3-methoxyprop-1-en-1-yl)-2,3-dihydro-1-benzofuran-3-yl]methyl acetate
6,8-dihydroxy-9-isopropyl-2,2,4,4-tetramethyl-7-(2-methylpropanoyl)-9h-xanthene-1,3-dione
(3as,4s,4ar,7as,8s,9r,9as)-4a,8-dimethyl-3-methylidene-4-[(2-methylprop-2-enoyl)oxy]-2,5-dioxo-3ah,4h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-9-yl 2-methylprop-2-enoate
(6r,6as,8s,10as)-4-(acetyloxy)-1-formyl-3-isopropyl-8,10a-dimethyl-7-methylidene-6h,6ah,8h,9h,10h-benzo[c]isochromen-6-yl acetate
(18s,19r)-9,12,13,14-tetramethoxy-18,19-dimethyl-5,7,20-trioxapentacyclo[15.2.1.0²,¹⁰.0⁴,⁸.0¹¹,¹⁶]icosa-2(10),3,8,11(16),12,14-hexaene
8,8-dimethyl-10-[(2-methylpropanoyl)oxy]-2-oxo-9h,10h-pyrano[2,3-h]chromen-9-yl 2-methylbut-2-enoate
5-bromo-14-isopropyl-11-methoxy-4,8-dimethyltetracyclo[10.2.1.0¹,¹⁰.0⁴,⁹]pentadecane-7,8-diol
methyl (3s,5r,6r,9s,10r)-6-hydroxy-5-[(1s)-1-hydroxyethyl]-4-methyl-12-oxo-7-oxa-4,14-diazapentacyclo[11.7.0.0³,⁹.0⁵,¹⁰.0¹⁵,²⁰]icosa-1(13),15,17,19-tetraene-9-carboxylate
(6s,7r)-5,6,7-trihydroxy-8,8-dimethyl-3,10-bis(2-methylbut-3-en-2-yl)-6h,7h-pyrano[3,2-g]chromen-2-one
2-(hydroxymethyl)-6-{4-[3-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenoxy}oxane-3,4,5-triol
(1s,3r,4ar,11bs)-1-(acetyloxy)-4a-hydroxy-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-3-yl acetate
3,4,6,8-tetrahydroxy-1-(3-hydroxy-3-methylbutyl)-2-(3-methylbut-2-en-1-yl)xanthen-9-one
(2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-{4-[(1e,3s)-3-(4-hydroxyphenyl)penta-1,4-dien-1-yl]phenoxy}oxane-3,4,5-triol
[5-(acetyloxy)-3,4-dihydroxy-6-[(7-methyl-3-methylidene-8-oxooct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
4-[(1s,3ar,4s,6ar)-4-(3,4-dimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenyl acetate
3,4a,5-trimethyl-4-[(2-methylprop-2-enoyl)oxy]-9-oxo-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
butyl 3-(3-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)propanoate
1-{16-hydroxy-7-methoxy-14-methyl-9-oxo-2,10-dioxatricyclo[10.4.0.0³,⁸]hexadeca-1(16),3(8),4,6,12,14-hexaen-6-yl}-3-methylbutyl acetate
4-[(1s,3ar,4r,6ar)-4-(3-ethyl-4-hydroxy-5-methoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2-ethyl-6-methoxyphenol
3,11,22-trimethoxy-12,13-dimethyl-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(15),2(10),3,8,16,21-hexaene
4-heptyl-6-hydroxy-14-methoxy-12-methyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,11,13-hexaene-5-carboxylic acid
14-deoxyandrographolide-3-o-sulfate
{"Ingredient_id": "HBIN001415","Ingredient_name": "14-deoxyandrographolide-3-o-sulfate","Alias": "NA","Ingredient_formula": "C20H30O7S","Ingredient_Smile": "CC12CCC(C(C1CCC(=C)C2CCC3=CCOC3=O)(C)CO)OS(=O)(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5152","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
19-oxodesacetylcinobufagin
{"Ingredient_id": "HBIN002210","Ingredient_name": "19-oxodesacetylcinobufagin","Alias": "NA","Ingredient_formula": "C24H30O6","Ingredient_Smile": "CC12CCC3C(C14C(O4)C(C2C5=COC(=O)C=C5)O)CCC6C3(CCC(C6)O)C=O","Ingredient_weight": "414.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16301","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "44567217","DrugBank_id": "NA"}
2-(4-allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (r*,s*)-form,3,4-methylene,3',5'-di-me ether,ac
{"Ingredient_id": "HBIN004284","Ingredient_name": "2-(4-allyl-2,6-dihydroxyphenoxy)-1-(3,4-dihydroxyphenyl)-1-propanol; (r*,s*)-form,3,4-methylene,3',5'-di-me ether,ac","Alias": "NA","Ingredient_formula": "C23H26O7","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9060","PubChem_id": "NA","DrugBank_id": "NA"}
alkaloid us-7
{"Ingredient_id": "HBIN015176","Ingredient_name": "alkaloid us-7","Alias": "NA","Ingredient_formula": "C22H26N2O6","Ingredient_Smile": "CCC(=O)C(CC1C2(CCN1C=O)C3=CC=CC=C3NC2=O)C(=COC)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "906","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alkaloid us-8
{"Ingredient_id": "HBIN015177","Ingredient_name": "alkaloid us-8","Alias": "NA","Ingredient_formula": "C22H26N2O6","Ingredient_Smile": "CCC(=O)C(CC1C2(CCN1C=O)C3=CC=CC=C3NC2=O)C(=COC)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "907","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}