Exact Mass: 480.2406
Exact Mass Matches: 480.2406
Found 500 metabolites which its exact mass value is equals to given mass value 480.2406
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Hexanoylneosolaniol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins 8-Hexanoylneosolaniol is from Fusarium sporotrichioides. From Fusarium sporotrichioides
Citronellyl beta-sophoroside
Citronellyl beta-sophoroside is found in green vegetables. Citronellyl beta-sophoroside is a constituent of flowers of damask rose (Rosa damascena var. bulgaria). Constituent of flowers of damask rose (Rosa damascena variety bulgaria). Citronellyl beta-sophoroside is found in herbs and spices and green vegetables.
4-Propanoyl-HT2 toxin
4-Propanoyl-HT2 toxin is from Fusarium sporotrichioide From Fusarium sporotrichioides
11-Oxo-androsterone glucuronide
11-oxo-androsterone glucuronide is a natural human metabolite of 11-oxo-androsterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)
11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate) is found in fats and oils. 11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate) is a constituent of Valeriana sp. Constituent of Valeriana species 11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate) is found in tea, fats and oils, and herbs and spices.
Copanlisib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Demethylzeylasteral
3-[4-[(E)-2-[6-(Dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate
TZ-93
Demethylzeylasteral is a carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. It has a role as a plant metabolite, an EC 2.4.1.17 (glucuronosyltransferase) inhibitor, an immunosuppressive agent, an anti-inflammatory agent and a nephroprotective agent. It is a carbopolycyclic compound, an enone, a cyclic ketone, an arenecarbaldehyde, an oxo monocarboxylic acid and a member of benzenediols. Demethylzeylasteral is a natural product found in Tripterygium regelii, Tripterygium hypoglaucum, and Tripterygium wilfordii with data available. A carbopolycyclic compound with formula C29H36O6, originally isolated from Tripterygium wilfordii. Demethylzeylasteral is a triterpene compound isolated from Tripterygium wilfordii Hook F, with anti-inflammatory, immunosuppressive and anti-tumor activities[1][2][3][4][5]. Demethylzeylasteral can significantly alleviates atherosclerosis (AS)[5]. Demethylzeylasteral inhibits triple-negative breast cancer invasion by blocking the canonical and non-canonical TGF-β signaling pathways[2].
Cardivin A
A germacranolide isolated from the aerial parts of Carpesium divaricatum. It exhibits cytotoxicity against the human tumor cells, A-549 (nonsmall cell lung), SK-OV-3 (ovary), SK-MEL-2 (skin), XF-498 (central nervous system) and HCT-15 (colon).
Vedelianin
A stilbenoid derivative isolated from Macaranga alnifolia and Macaranga alnifolia and has been shown to exhibit cytotoxic activity.
Demethylzeylasteral
Demethylzeylasteral is a triterpene compound isolated from Tripterygium wilfordii Hook F, with anti-inflammatory, immunosuppressive and anti-tumor activities[1][2][3][4][5]. Demethylzeylasteral can significantly alleviates atherosclerosis (AS)[5]. Demethylzeylasteral inhibits triple-negative breast cancer invasion by blocking the canonical and non-canonical TGF-β signaling pathways[2].
(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
8beta-angeloyloxy-9alpha-(2-methylbutanoyl)-ternifolin
9-isobutyryloxy-15-hydroxy-4beta,15-dihydrorepandanolide-8-O-epoxyangelate
(11alpha,12beta,13S,16alpha)-12,13-bis(acetoxy)-11,16-dihydroxy-2-methoxypicras-2-ene-1,12-dione|picraqualide E
2alpha,5-epoxy-5,10-dihydroxy-6alpha-angeloyloxy-9beta-(3-methylbutyroyloxy)-germacr-11(13)-en-8alpha,12-olide
12alpha-methoxyl-5alpha,14beta-dihydroxy-1alpha,2alpha-diacetoxycass-13(15)-en-16,12-olide|neocaesalpin AA
8-hydroxy-1,10,11-triisovalerylvaltrate hydrine|patriheterdoid C
(1R,4aS,6aS,6bR,8R,12aS,12bS,12cS,13aS,13bS,13cR)-1,3,4,5,6,6a,6b,7,8,12a,12b,12c,13a,13c-tetradecahydro-8,11-dihydroxy-1,6a,6b,9,12a-pentamethyl-2-methylidene-2H,10H-13b,4a-(epoxymethano)piceno[13,14-b]oxirene-10,15-dione|2,6beta-dihydroxy-3-oxo-11alpha,12alpha-epoxy-24-norursa-1,4,20(30)-trien-28,13beta-olide|asprellol B
3beta,5alpha,20-trihydroxy-15beta-cinnamoyloxy-14-oxolathyra-6Z,12E-diene
(2R*,3S*,4R*,5R*,6R*,9S*,11S*,15R*)-15beta-cinnamoyloxy-5alpha,6beta-epoxy-3beta,16-dihydroxy-14-oxolathyr-12E-ene|latilagascene B
C22H40O11_(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
C29H36O6_(2E,4aR,6R,7S,8E,10R)-10-Acetoxy-4a-hydroxy-1,1,3,6,9-pentamethyl-4-oxo-1a,4,4a,5,6,7,7a,10,11,11a-decahydro-1H-cyclopenta[a]cyclopropa[f][11]annulen-7-yl benzoate
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol_major
Ala Phe Phe Pro
Ala Phe Ile Met
Ala Phe Leu Met
Ala Phe Met Ile
Ala Phe Met Leu
Ala Phe Pro Phe
Ala Ile Phe Met
Ala Ile Met Phe
Ala Leu Phe Met
Ala Leu Met Phe
Ala Met Phe Ile
Ala Met Phe Leu
Ala Met Ile Phe
Ala Met Leu Phe
Ala Pro Phe Phe
Cys Phe Ile Val
Cys Phe Leu Val
Cys Phe Val Ile
Cys Phe Val Leu
Cys Ile Phe Val
Cys Ile Val Phe
Cys Leu Phe Val
Cys Leu Val Phe
Cys Val Phe Ile
Cys Val Phe Leu
Cys Val Ile Phe
Cys Val Leu Phe
Asp His Ile Pro
Asp His Leu Pro
Asp His Pro Ile
Asp His Pro Leu
Asp Ile His Pro
Asp Ile Pro His
Asp Leu His Pro
Asp Leu Pro His
Asp Pro His Ile
Asp Pro His Leu
Asp Pro Ile His
Asp Pro Leu His
Glu His Pro Val
Glu His Val Pro
Glu Pro His Val
Glu Pro Val His
Glu Val His Pro
Glu Val Pro His
Phe Ala Phe Pro
Phe Ala Ile Met
Phe Ala Leu Met
Phe Ala Met Ile
Phe Ala Met Leu
Phe Ala Pro Phe
Phe Cys Ile Val
Phe Cys Leu Val
Phe Cys Val Ile
Phe Cys Val Leu
Phe Phe Ala Pro
Phe Phe Pro Ala
Phe Ile Ala Met
Phe Ile Cys Val
Phe Ile Met Ala
Phe Ile Thr Thr
Phe Ile Val Cys
Phe Leu Ala Met
Phe Leu Cys Val
Phe Leu Met Ala
Phe Leu Thr Thr
Phe Leu Val Cys
Phe Met Ala Ile
Phe Met Ala Leu
Phe Met Ile Ala
Phe Met Leu Ala
Phe Pro Ala Phe
Phe Pro Phe Ala
Phe Thr Ile Thr
Phe Thr Leu Thr
Phe Thr Thr Ile
Phe Thr Thr Leu
Phe Val Cys Ile
Phe Val Cys Leu
Phe Val Ile Cys
Phe Val Leu Cys
Gly Lys Asn Tyr
Gly Lys Tyr Asn
Gly Asn Lys Tyr
Gly Asn Tyr Lys
Gly Tyr Lys Asn
Gly Tyr Asn Lys
His Asp Ile Pro
His Asp Leu Pro
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His Glu Pro Val
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His Pro Ile Asp
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His Pro Val Glu
His Val Glu Pro
His Val Pro Glu
Ile Ala Phe Met
Ile Ala Met Phe
Ile Cys Phe Val
Ile Cys Val Phe
Ile Asp His Pro
Ile Asp Pro His
Ile Phe Ala Met
Ile Phe Cys Val
Ile Phe Met Ala
Ile Phe Thr Thr
Ile Phe Val Cys
Ile His Asp Pro
Ile His Pro Asp
Ile Met Ala Phe
Ile Met Phe Ala
Ile Pro Asp His
Ile Pro His Asp
Ile Ser Val Tyr
Ile Ser Tyr Val
Ile Thr Phe Thr
Ile Thr Thr Phe
Ile Val Cys Phe
Ile Val Phe Cys
Ile Val Ser Tyr
Ile Val Tyr Ser
Ile Tyr Ser Val
Ile Tyr Val Ser
Lys Gly Asn Tyr
Lys Gly Tyr Asn
Lys Asn Gly Tyr
Lys Asn Tyr Gly
Lys Tyr Gly Asn
Lys Tyr Asn Gly
Leu Ala Phe Met
Leu Ala Met Phe
Leu Cys Phe Val
Leu Cys Val Phe
Leu Asp His Pro
Leu Asp Pro His
Leu Phe Ala Met
Leu Phe Cys Val
Leu Phe Met Ala
Leu Phe Thr Thr
Leu Phe Val Cys
Leu His Asp Pro
Leu His Pro Asp
Leu Met Ala Phe
Leu Met Phe Ala
Leu Pro Asp His
Leu Pro His Asp
Leu Ser Val Tyr
Leu Ser Tyr Val
Leu Thr Phe Thr
Leu Thr Thr Phe
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Leu Val Phe Cys
Leu Val Ser Tyr
Leu Val Tyr Ser
Leu Tyr Ser Val
Leu Tyr Val Ser
Met Ala Phe Ile
Met Ala Phe Leu
Met Ala Ile Phe
Met Ala Leu Phe
Met Phe Ala Ile
Met Phe Ala Leu
Met Phe Ile Ala
Met Phe Leu Ala
Met Ile Ala Phe
Met Ile Phe Ala
Met Leu Ala Phe
Met Leu Phe Ala
Asn Gly Lys Tyr
Asn Gly Tyr Lys
Asn Lys Gly Tyr
Asn Lys Tyr Gly
Asn Tyr Gly Lys
Asn Tyr Lys Gly
Pro Ala Phe Phe
Pro Asp His Ile
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Pro Glu His Val
Pro Glu Val His
Pro Phe Ala Phe
Pro Phe Phe Ala
Pro His Asp Ile
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Ser Ile Val Tyr
Ser Ile Tyr Val
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Thr Phe Ile Thr
Thr Phe Leu Thr
Thr Phe Thr Ile
Thr Phe Thr Leu
Thr Ile Phe Thr
Thr Ile Thr Phe
Thr Leu Phe Thr
Thr Leu Thr Phe
Thr Thr Phe Ile
Thr Thr Phe Leu
Thr Thr Ile Phe
Thr Thr Leu Phe
Val Cys Phe Ile
Val Cys Phe Leu
Val Cys Ile Phe
Val Cys Leu Phe
Val Glu His Pro
Val Glu Pro His
Val Phe Cys Ile
Val Phe Cys Leu
Val Phe Ile Cys
Val Phe Leu Cys
Val His Glu Pro
Val His Pro Glu
Val Ile Cys Phe
Val Ile Phe Cys
Val Leu Cys Phe
Val Leu Phe Cys
Val Pro Glu His
Val Pro His Glu
Tyr Gly Lys Asn
Tyr Gly Asn Lys
Tyr Lys Gly Asn
Tyr Lys Asn Gly
Tyr Asn Gly Lys
Tyr Asn Lys Gly
Citronellyl b-sophoroside
11-Deacetylvaltrate 11-(3-hydroxy-3-methylbutanoate)
4-Propanoyl-HT2 toxin
8-Hexanoylneosolaniol
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
3-O-(alpha-L-rhamnopyranosyl-(1-2)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid
(3E)-7-Hydroxy-3,7-dimethyl-3-octen-1-yl 6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranoside
glas#16
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#16 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
Di-4-ANEPPS
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Hydrocortisone succinate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D000893 - Anti-Inflammatory Agents
solifenacin succinate
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Solifenacin Succinate (YM905) is a novel muscarinic receptor antagonist with pKis of 7.6, 6.9 and 8.0 for M1, M2 and M3 receptors, respectively.
(3R)-1-azabicyclo[2.2.2]oct-3-yl (1R)-3,4-dihydro-1-phenyl-2(1H)-isoquinoline carboxylate succinate
1-O-{(9R)-9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]decanoyl}-beta-D-glucopyranose
Copanlisib
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01E - Protein kinase inhibitors > L01EM - Phosphatidylinositol-3-kinase (pi3k) inhibitors C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Callysponginol sulfate A
An organic sodium salt which is the monosodium salt of callysponginol sulfonic acid A. It is isolated from the marine sponge Callyspongia truncata as a membrane type 1 matrix metalloproteinase (MT1-MMP) inhibitor.
Ethyl 2-(4-methoxyphenyl)-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyrimidine-6-carboxylate
(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-5-acetoxy-15-benzoyloxylathyra-6,12-dien-3-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(-)-(12E,2S,3S,4R,5R,6R,9S,11S,15R)-3-acetoxy-15-benzoyloxy-5,6-epoxylathyr-12-en-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
(-)-(6Z,12E,2S,3S,4R,5R,9S,11S,15R)-3-acetoxy-15-benzoyloxylathyra-6,12-dien-5-ol-14-one
A lathyrane diterpenoid isolated from the roots of Euphorbia micractina.
[(1R,3E,9R,10E,13S,14R)-9-acetyloxy-1-hydroxy-3,6,6,10,14-pentamethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] benzoate
2,5-dimethyl-N-[(S)-[(1S,2R)-1-methyl-2-[(2R)-1-(2-naphthalenylamino)-1-oxopropan-2-yl]cyclopropyl]-phenylmethyl]-3-pyrazolecarboxamide
N-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
2-[(1R,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
2-[(2S,4aS,12aS)-8-(benzylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
N-[[(2R,3S)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3S)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3R)-8-[(3S)-3-hydroxybut-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2R,3R)-8-[(3R)-3-hydroxybut-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridin-4-ylacetamide
N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2S,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[[(2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyrazinecarboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
2-[(1S,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-6-(cyclopentylcarbamoylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
2-[(2S,4aR,12aS)-8-(benzylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
2-[(2S,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
2-[(1R,3R,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
2-[(2S,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
2-[(2R,4aR,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide
N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide
2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[[oxo-[(phenylmethyl)amino]methyl]amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N,N-dimethylacetamide
hydrogen (2Z)-but-2-enedioate (6-methyl-9,10-didehydroergolin-8beta-yl)methyl cyclohexanecarboxylate (1:1:1)
7-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
5-HT4 antagonist 1
5-HT4 antagonist 1 is a 5-HT4 receptor antagonist with a pKi of 9.6.
(1s,2s,3r,7r,8s,9r,11r,13s)-1,9-dihydroxy-9,13-dimethyl-8-[(3-methylbutanoyl)oxy]-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.0³,⁷]tetradecan-2-yl (2z)-2-methylbut-2-enoate
[3-(acetyloxy)-9,10-dihydroxy-6-(methoxymethyl)-12-methyl-7-oxo-17-oxapentacyclo[7.6.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadecan-12-yl]methyl acetate
(3ar,4s,6s,8s,10r,11s,11ar)-8,10-dihydroxy-6,10-dimethyl-11-{[(2r)-2-methylbutanoyl]oxy}-3-methylidene-2,5-dioxo-octahydrocyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
(1r,2s,3r,7r,8s,9r,11s,13s)-1,9-dihydroxy-9,13-dimethyl-8-{[(2r)-2-methylbutanoyl]oxy}-4-methylidene-5-oxo-6,14-dioxatricyclo[9.2.1.0³,⁷]tetradecan-2-yl (2z)-2-methylbut-2-enoate
(3as,4s,5r,6r,9r,10r,11ar)-6,9-dihydroxy-6,10-dimethyl-5-{[(2r)-2-methylbutanoyl]oxy}-3-methylidene-2,7-dioxo-octahydrocyclodeca[b]furan-4-yl (2z)-2-methylbut-2-enoate
(3r,6r,9r)-2,8,11-trihydroxy-3-[(s)-hydroxy(phenyl)methyl]-4,9-dimethyl-6-(sec-butyl)-6,9-dihydro-3h-1,4,7,10-benzotetrazacyclotridecin-5-one
(5s)-9-methoxy-2-({9-methoxy-3,5-dimethylnaphtho[2,3-b]furan-4-yl}methyl)-3,4,5-trimethyl-5h,6h-naphtho[2,3-b]furan
(1's,2r,2'r,4's,7'r,9'r,10'r,11's)-11'-(acetyloxy)-2'-[(acetyloxy)methyl]-10'-hydroxy-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl hexanoate
(1r,3e,5r,7s,9z,11r,12r,13s,14s)-11,13-dihydroxy-3-(hydroxymethyl)-6,6,10,14-tetramethyl-2-oxotricyclo[10.3.0.0⁵,⁷]pentadeca-3,9-dien-1-yl (2e)-3-phenylprop-2-enoate
(1r,2s,3r,6r,8s,11s,12s,13r,14r,15r,16r,17s)-11,12,15,16-tetrahydroxy-9,13,17-trimethyl-4-oxo-5,18-dioxapentacyclo[12.5.0.0¹,⁶.0²,¹⁷.0⁸,¹³]nonadec-9-en-3-yl (2r)-2-methylbutanoate
2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(2-methylbutyryloxy)-germacran-8,12-olide
{"Ingredient_id": "HBIN004670","Ingredient_name": "2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(2-methylbutyryloxy)-germacran-8,12-olide","Alias": "NA","Ingredient_formula": "C25H36O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2C(C(C3(C(CC(O3)CC1(C)O)C)O)OC(=O)C(=CC)C)C(=C)C(=O)O2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7073","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(2r-methylbutyryloxy)-germacran-8,12-olide
{"Ingredient_id": "HBIN004671","Ingredient_name": "2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(2r-methylbutyryloxy)-germacran-8,12-olide","Alias": "NA","Ingredient_formula": "C25H36O9","Ingredient_Smile": "CCC(C)C(=O)OC1C2C(C(C3(C(CC(O3)CC1(C)O)C)O)OC(=O)C(=CC)C)C(=C)C(=O)O2","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7074","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(3-methylbutyryloxy)-germacran-8,12-olide
{"Ingredient_id": "HBIN004672","Ingredient_name": "2,5-epoxy-5,10-dihydroxy-6-angeloyloxy-9-(3-methylbutyryloxy)-germacran-8,12-olide","Alias": "NA","Ingredient_formula": "C25H36O9","Ingredient_Smile": "CC=C(C)C(=O)OC1C2C(C(C(CC3CC(C1(O3)O)C)(C)O)OC(=O)CC(C)C)OC(=O)C2=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7075","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-cinnamoylphototaxicin ii
{"Ingredient_id": "HBIN011502","Ingredient_name": "5-cinnamoylphototaxicin ii","Alias": "NA","Ingredient_formula": "C29H36O6","Ingredient_Smile": "CC1C(=O)CC2C(C34C1(C2(C)C)C(C(C3(CCC(C4=C)OC(=O)C=CC5=CC=CC=C5)C)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "3719","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}