Exact Mass: 416.2021192
Exact Mass Matches: 416.2021192
Found 500 metabolites which its exact mass value is equals to given mass value 416.2021192
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Arenobufagin
Arenobufagin is a natural product found in Bufo gargarizans, Bufotes viridis, and other organisms with data available. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides Arenobufagin is a natural bufadienolide from toad venom; has potent antineoplastic activity against HCC HepG2 cells as well as corresponding multidrug-resistant HepG2/ADM cells. IC50 value: Target: in vitro: arenobufagin induced mitochondria-mediated apoptosis in HCC cells, with decreasing mitochondrial potential, as well as increasing Bax/Bcl-2 expression ratio, Bax translocation from cytosol to mitochondria. Arenobufagin also induced autophagy in HepG2/ADM cells. Autophagy-specific inhibitors (3-methyladenine, chloroquine and bafilomycin A1) or Beclin1 and Atg 5 small interfering RNAs (siRNAs) enhanced arenobufagin-induced apoptosis, indicating that arenobufagin-mediated autophagy may protect HepG2/ADM cells from undergoing apoptotic cell death [1]. arenobufagin inhibited vascular endothelial growth factor (VEGF)-induced viability, migration, invasion and tube formation in human umbilical vein endothelial cells (HUVECs) in vitro [2]. Arenobufagin blocked the Na+/K+ pump current in a dose-dependent manner with a half-maximal concentration of 0.29 microM and a Hill coefficient of 1.1 [3]. in vivo: arenobufagin inhibited the growth of HepG2/ADM xenograft tumors, which were associated with poly (ADP-ribose) polymerase cleavage, light chain 3-II activation and mTOR inhibition [1]. Arenobufagin also suppressed sprouting formation from VEGF-treated aortic rings in an ex vivo model [2]. Arenobufagin is a natural bufadienolide from toad venom; has potent antineoplastic activity against HCC HepG2 cells as well as corresponding multidrug-resistant HepG2/ADM cells. IC50 value: Target: in vitro: arenobufagin induced mitochondria-mediated apoptosis in HCC cells, with decreasing mitochondrial potential, as well as increasing Bax/Bcl-2 expression ratio, Bax translocation from cytosol to mitochondria. Arenobufagin also induced autophagy in HepG2/ADM cells. Autophagy-specific inhibitors (3-methyladenine, chloroquine and bafilomycin A1) or Beclin1 and Atg 5 small interfering RNAs (siRNAs) enhanced arenobufagin-induced apoptosis, indicating that arenobufagin-mediated autophagy may protect HepG2/ADM cells from undergoing apoptotic cell death [1]. arenobufagin inhibited vascular endothelial growth factor (VEGF)-induced viability, migration, invasion and tube formation in human umbilical vein endothelial cells (HUVECs) in vitro [2]. Arenobufagin blocked the Na+/K+ pump current in a dose-dependent manner with a half-maximal concentration of 0.29 microM and a Hill coefficient of 1.1 [3]. in vivo: arenobufagin inhibited the growth of HepG2/ADM xenograft tumors, which were associated with poly (ADP-ribose) polymerase cleavage, light chain 3-II activation and mTOR inhibition [1]. Arenobufagin also suppressed sprouting formation from VEGF-treated aortic rings in an ex vivo model [2].
Deoxyschizandrin
Deoxyschizandrin is a tannin. Deoxyschizandrin is a natural product found in Schisandra sphenanthera with data available. A polyphenol metabolite detected in biological fluids [PhenolExplorer] Schisandrin A inhibits CYP3A activity with an IC50 of 6.60 μM and Ki of 5.83 μM, respectively. Schisandrin A inhibits CYP3A activity with an IC50 of 6.60 μM and Ki of 5.83 μM, respectively.
Spironolactone
Latex as found in nature is a milky fluid found in 10\\\% of all flowering plants (angiosperms). It is a complex emulsion consisting of proteins, alkaloids, starches, sugars, oils, tannins, resins, and gums that coagulates on exposure to air. It is usually exuded after tissue injury. In most plants, latex is white, but some have yellow, orange, or scarlet latex. Since the 17th century, latex has been used as a term for the fluid substance in plants. It serves mainly as defense against herbivorous insects. Many people are allergic to latex. [Wikipedia]. A potassium sparing diuretic that acts by antagonism of aldosterone in the distal renal tubules. It is used mainly in the treatment of refractory edema in patients with congestive heart failure, nephrotic syndrome, or hepatic cirrhosis. Its effects on the endocrine system are utilized in the treatments of hirsutism and acne but they can lead to adverse effects. (From Martindale, The Extra Pharmacopoeia, 30th ed, p827) 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 C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics CONFIDENCE standard compound; EAWAG_UCHEM_ID 2902 Spironolactone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=52-01-7 (retrieved 2024-10-11) (CAS RN: 52-01-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Methylprednisolone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Hellebrigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002018 - Bufanolides
Heterotropan
Constituent of Acorus calamus (sweet flag). Acoradin is found in herbs and spices and root vegetables. Acoradin is found in herbs and spices. Acoradin is a constituent of Acorus calamus (sweet flag).
Desonide
Desonide is only found in individuals that have used or taken this drug. It is a nonfluorinated corticosteroid anti-inflammatory agent used topically for dermatoses. [PubChem]Like other topical corticosteroids, desonide has anti-inflammatory, antipruritic and vasoconstrictive properties. The drug binds to cytosolic glucocorticoid receptors. This complex migrates to the nucleus and binds to genetic elements on the DNA. This activates and represses various genes. However corticosteroids are thought to act by the induction of phospholipase A2 inhibitory proteins, collectively called lipocortins. It is postulated that these proteins control the biosynthesis of potent mediators of inflammation such as prostaglandins and leukotrienes by inhibiting the release of their common precursor arachidonic acid. Arachidonic acid is released from membrane phospholipids by phospholipase A2. D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents
Diasarone 2
Isolated from rhizomes of Acorus calamus (sweet flag). Diasarone 2 is found in herbs and spices and root vegetables. Diasarone 2 is found in herbs and spices. Diasarone 2 is isolated from rhizomes of Acorus calamus (sweet flag).
Ethyl 7-epi-12-hydroxyjasmonate glucoside
Ethyl 7-epi-12-hydroxyjasmonate glucoside is found in herbs and spices. Ethyl 7-epi-12-hydroxyjasmonate glucoside is a constituent of sage (Salvia officinalis) Constituent of sage (Salvia officinalis). Ethyl 7-epi-12-hydroxyjasmonate glucoside is found in herbs and spices.
Citreoviridin D
Citreoviridin D is a mycotoxin produced by the common soil organism Aspergillus terreu
Armillyl everninate
Armillyl everninate is found in mushrooms. Armillyl everninate is produced by Armillaria mellea (honey mushroom Production by Armillaria mellea (honey mushroom). Armillyl everninate is found in mushrooms.
Arenobufagin
4-Ethyl-2-propyl-1-(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methylimidazole-5-carboxylic acid
C23H24N6O2 (416.19606439999995)
Eugenosedin-A
C23H29ClN2O3 (416.18665940000005)
Methylprednisolone acetate
Phyltetralin
Tridesilon
D000893 - Anti-Inflammatory Agents
ZANOTERONE
C23H32N2O3S (416.21335220000003)
9,10,11-Trihydroxyumbelliprenin
9,10,11-trihydroxyumbelliprenin is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. 9,10,11-trihydroxyumbelliprenin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 9,10,11-trihydroxyumbelliprenin can be found in anise, which makes 9,10,11-trihydroxyumbelliprenin a potential biomarker for the consumption of this food product.
Wuweizisu A
Schizandrin A is a natural product found in Schisandra henryi, Schisandra rubriflora, and other organisms with data available. See also: Schisandra chinensis fruit (part of). Schisandrin A inhibits CYP3A activity with an IC50 of 6.60 μM and Ki of 5.83 μM, respectively. Schisandrin A inhibits CYP3A activity with an IC50 of 6.60 μM and Ki of 5.83 μM, respectively.
6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2-O-acetate
[(1S,3R,3aS,4S,8aR)-1-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate
19-hydroxydesacetylcinobufagin|desacetylcinobufaginol
4-hydroxy-2-[(3,4-methylenedioxyphenyl)undecanoyl]cyclohexane-1,3-dione
14alpha,19-dihydroxyabieta-8,13(15)-dien-16,12-olide diacetate|phlogacantholide C diacetate
3alpha,19-Diacetoxyspongia-13(16),14-dien-2-on|3alpha,19-diacetoxyspongia-13(16),14-dien-2-one
(1R,4R,5S,6R,7R,9S,10S)-1-acetoxy-9-benzoyloxy-6-hydroxydihydro-beta-agarofuran
8,20-diacetoxyserrulat-14-en-19-oic acid|Di-Ac-8,20-Dihydroxy-14-serrulaten-19-oic acid
(3beta,5beta,14beta,15beta,16beta)-14,15-Epoxy-3,16,19-Trihydroxybufa-20,22-dienolide
17-Aldehyde,6,7-di-Ac-(6alpha,7beta,14alphaH)-6,7-Dihydroxy-17-vouacapanoic acid
(5R,8Z,11Z)-5-beta-D-glucopyranosyloxy-6-oxotetradeca-8,11-dienoic acid
18beta,19beta-diacetyloxy-18alpha,19alpha-epoxy-3,13(16),14-clerodatrien-2-one|esculentin A
1,1-[(1E,4R,5R)-5-methoxy-4-(methoxymethyl)pent-1-ene-1,5-diyl]bis(3,4-dimethoxybenzene)
3beta-O-caffeoyl-1beta,8alpha-dihydroxyeudesm-4(15)-ene
1alpha-angeloyloxy-6beta-isobutyryloxy-10alphaH-9-oxofuranoeremophilane
4,4-dihydroxy-3,3-dimethoxy-9-butoxy-9,9-epoxylignan
8-O-(2,6-Diacetyl-beta-D-glucopyranoside)-(E)-2-Methyl-6-methylene-2-octene-1,8-diol
5,7-dihydroxy-4-(1S-hydroxypentyl)-6-(3-methylbut-2-en-1-yl)-8-(3-methylbutanoyl)-2H-chromen-2-one|mammea F/BA
5,7-dihydroxy-4-((S)-1-hydroxypentyl)-6-(3-methylbut-2-en-1-yl)-8-((S)-2-methylbutanoyl)-2Hchromen-2-one|mammea F/BB
16,17-dihydroxy-9,10,12-trimethoxy-5,16-cyclo-corynox-19-en-2-one|Chitosenin
4-Hydroxy-2-[11-(3,4-methylenedioxyphenyl)undecanoyl]cyclohexane-1,3-dione
14beta,15beta-diacetoxy-ent-kaur-16-en-3,7-dione|hubeirubesin B
5-acetoxy-2,6-dimethyl-3-hydroxymethyl-1,6-heptadiene-9-O-(6-acetyl-beta-D-glucopyranoside)
3-[rel-(2R,3S)-3,4-dihydro-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2H,8H-pyrano[2,3-f]chromen-6-yl]octanoic acid|calopolyanic acid
12beta-hydroxy-1alpha,6alpha-diacetoxy-ent-kaura-9(11),16-dien-15-one
kopsifoline C|methyl (1S,4R,5R,13R,18R,19S,20S)-5,18,19-trihydroxy-8-methoxy-6,16-diazahexacyclo[11.6.1.11.4.05.13.07.12.016.20]henicosa-7(12),8,10-triene-4-carboxylate
(1S,4R,5S,6R,7R,9S,10S)-1-acetoxy-9-trans-cinnamoyloxy-6-hydroxydihydro-beta-agarofuran
16R-1alpha,6alpha-diacetoxy-ent-9(11)-kauren-12,15-dione
3beta-angeloyloxy-6beta-methacryloyloxy-6beta-hydroxy-10betaH-furanoeremophilane
9-acetoxy-gamma-geraniol-(6-acetyl-beta-D-glucopyranoside)
7-oxo-15-hydroxy-8,11,13-abietatriene-18-succinic acid|abiesadine R
caesalpinin C
A tetracyclic diterpenoid isolated from the seed kernels of Caesalpinia crista that has been found to exhibit antimalarial activity.
11,12-O-diacetylcarnosic acid|carnosic acid diacetate|Carnosic-acid-diacetat
14-hydroxy-7-methoxy-11,16-diketo-apian-8-en-(22,6)-olide
Desonide
D - Dermatologicals > D07 - Corticosteroids, dermatological preparations > D07A - Corticosteroids, plain > D07AB - Corticosteroids, moderately potent (group ii) S - Sensory organs > S01 - Ophthalmologicals > S01B - Antiinflammatory agents > S01BA - Corticosteroids, plain C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents CONFIDENCE standard compound; INTERNAL_ID 2830
C20H32O9_(1beta,2alpha,4xi,5xi,9xi,11alpha,12alpha,13xi,15beta)-1,2,4,11,12,14,15-Heptahydroxypicrasan-16-one
C24H32O6_(1S,3R,3aS,4S,8aR)-1-Acetoxy-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3,3a,4,5,8,8a-octahydro-4-azulenyl 4-hydroxybenzoate
Spironolactone
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 C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49186 - Potassium-Sparing Diuretic COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[(1S,3R,3aS,4S,8aR)-1-acetyloxy-3-hydroxy-6,8a-dimethyl-3-propan-2-yl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate_major
Ala Ala Gln Gln
Ala Glu Pro Thr
Ala Glu Thr Pro
Ala Gly Asn Arg
Ala Gly Arg Asn
Ala Met Pro Val
C18H32N4O5S (416.20933020000007)
Ala Met Val Pro
C18H32N4O5S (416.20933020000007)
Ala Asn Gly Arg
Ala Asn Asn Val
Ala Asn Arg Gly
Ala Asn Val Asn
Ala Pro Glu Thr
Ala Pro Met Val
C18H32N4O5S (416.20933020000007)
Ala Pro Thr Glu
Ala Pro Val Met
C18H32N4O5S (416.20933020000007)
Ala Gln Ala Gln
Ala Gln Gln Ala
Ala Arg Gly Asn
Ala Arg Asn Gly
Ala Thr Glu Pro
Ala Thr Pro Glu
Ala Val Met Pro
C18H32N4O5S (416.20933020000007)
Ala Val Asn Asn
Ala Val Pro Met
C18H32N4O5S (416.20933020000007)
Cys Pro Val Val
C18H32N4O5S (416.20933020000007)
Cys Val Pro Val
C18H32N4O5S (416.20933020000007)
Cys Val Val Pro
C18H32N4O5S (416.20933020000007)
Asp Pro Ser Val
Asp Pro Val Ser
Asp Ser Pro Val
Asp Ser Val Pro
Asp Val Pro Ser
Asp Val Ser Pro
Glu Ala Pro Thr
Glu Ala Thr Pro
Glu Pro Ala Thr
Glu Pro Thr Ala
Glu Thr Ala Pro
Glu Thr Pro Ala
Phe Gly Pro Pro
Phe Pro Gly Pro
Phe Pro Pro Gly
Gly Ala Asn Arg
Gly Ala Arg Asn
Gly Phe Pro Pro
Gly Gly Gln Arg
Gly Gly Arg Gln
Gly Ile Met Pro
C18H32N4O5S (416.20933020000007)
Gly Ile Asn Asn
Gly Ile Pro Met
C18H32N4O5S (416.20933020000007)
Gly Leu Met Pro
C18H32N4O5S (416.20933020000007)
Gly Leu Asn Asn
Gly Leu Pro Met
C18H32N4O5S (416.20933020000007)
Gly Met Ile Pro
C18H32N4O5S (416.20933020000007)
Gly Met Leu Pro
C18H32N4O5S (416.20933020000007)
Gly Met Pro Ile
C18H32N4O5S (416.20933020000007)
Gly Met Pro Leu
C18H32N4O5S (416.20933020000007)
Gly Asn Ala Arg
Gly Asn Ile Asn
Gly Asn Leu Asn
Gly Asn Asn Ile
Gly Asn Asn Leu
Gly Asn Gln Val
Gly Asn Arg Ala
Gly Asn Val Gln
Gly Pro Phe Pro
Gly Pro Ile Met
C18H32N4O5S (416.20933020000007)
Gly Pro Leu Met
C18H32N4O5S (416.20933020000007)
Gly Pro Met Ile
C18H32N4O5S (416.20933020000007)
Gly Pro Met Leu
C18H32N4O5S (416.20933020000007)
Gly Pro Pro Phe
Gly Gln Gly Arg
Gly Gln Asn Val
Gly Gln Arg Gly
Gly Gln Val Asn
Gly Arg Ala Asn
Gly Arg Gly Gln
Gly Arg Asn Ala
Gly Arg Gln Gly
Gly Val Asn Gln
Gly Val Gln Asn
Ile Gly Met Pro
C18H32N4O5S (416.20933020000007)
Ile Gly Asn Asn
Ile Gly Pro Met
C18H32N4O5S (416.20933020000007)
Ile Met Gly Pro
C18H32N4O5S (416.20933020000007)
Ile Met Pro Gly
C18H32N4O5S (416.20933020000007)
Ile Asn Gly Asn
Ile Asn Asn Gly
Ile Pro Gly Met
C18H32N4O5S (416.20933020000007)
Ile Pro Met Gly
C18H32N4O5S (416.20933020000007)
Leu Gly Met Pro
C18H32N4O5S (416.20933020000007)
Leu Gly Asn Asn
Leu Gly Pro Met
C18H32N4O5S (416.20933020000007)
Leu Met Gly Pro
C18H32N4O5S (416.20933020000007)
Leu Met Pro Gly
C18H32N4O5S (416.20933020000007)
Leu Asn Gly Asn
Leu Asn Asn Gly
Leu Pro Gly Met
C18H32N4O5S (416.20933020000007)
Leu Pro Met Gly
C18H32N4O5S (416.20933020000007)
Met Ala Pro Val
C18H32N4O5S (416.20933020000007)
Met Ala Val Pro
C18H32N4O5S (416.20933020000007)
Met Gly Ile Pro
C18H32N4O5S (416.20933020000007)
Met Gly Leu Pro
C18H32N4O5S (416.20933020000007)
Met Gly Pro Ile
C18H32N4O5S (416.20933020000007)
Met Gly Pro Leu
C18H32N4O5S (416.20933020000007)
Met Ile Gly Pro
C18H32N4O5S (416.20933020000007)
Met Ile Pro Gly
C18H32N4O5S (416.20933020000007)
Met Leu Gly Pro
C18H32N4O5S (416.20933020000007)
Met Leu Pro Gly
C18H32N4O5S (416.20933020000007)
Met Pro Ala Val
C18H32N4O5S (416.20933020000007)
Met Pro Gly Ile
C18H32N4O5S (416.20933020000007)
Met Pro Gly Leu
C18H32N4O5S (416.20933020000007)
Met Pro Ile Gly
C18H32N4O5S (416.20933020000007)
Met Pro Leu Gly
C18H32N4O5S (416.20933020000007)
Met Pro Val Ala
C18H32N4O5S (416.20933020000007)
Met Val Ala Pro
C18H32N4O5S (416.20933020000007)
Met Val Pro Ala
C18H32N4O5S (416.20933020000007)
Asn Ala Gly Arg
Asn Ala Asn Val
Asn Ala Arg Gly
Asn Ala Val Asn
Asn Gly Ala Arg
Asn Gly Ile Asn
Asn Gly Leu Asn
Asn Gly Asn Ile
Asn Gly Asn Leu
Asn Gly Gln Val
Asn Gly Arg Ala
Asn Gly Val Gln
Asn Ile Gly Asn
Asn Ile Asn Gly
Asn Leu Gly Asn
Asn Leu Asn Gly
Asn Asn Ala Val
Asn Asn Gly Ile
Asn Asn Gly Leu
Asn Asn Ile Gly
Asn Asn Leu Gly
Asn Asn Val Ala
Asn Gln Gly Val
Asn Gln Val Gly
Asn Arg Ala Gly
Asn Arg Gly Ala
Asn Val Ala Asn
Asn Val Gly Gln
Asn Val Asn Ala
Asn Val Gln Gly
Pro Ala Glu Thr
Pro Ala Met Val
C18H32N4O5S (416.20933020000007)
Pro Ala Thr Glu
Pro Ala Val Met
C18H32N4O5S (416.20933020000007)
Pro Cys Val Val
C18H32N4O5S (416.20933020000007)
Pro Asp Ser Val
Pro Asp Val Ser
Pro Glu Ala Thr
Pro Glu Thr Ala
Pro Phe Gly Pro
Pro Phe Pro Gly
Pro Gly Phe Pro
Pro Gly Ile Met
C18H32N4O5S (416.20933020000007)
Pro Gly Leu Met
C18H32N4O5S (416.20933020000007)
Pro Gly Met Ile
C18H32N4O5S (416.20933020000007)
Pro Gly Met Leu
C18H32N4O5S (416.20933020000007)
Pro Gly Pro Phe
Pro Ile Gly Met
C18H32N4O5S (416.20933020000007)
Pro Ile Met Gly
C18H32N4O5S (416.20933020000007)
Pro Leu Gly Met
C18H32N4O5S (416.20933020000007)
Pro Leu Met Gly
C18H32N4O5S (416.20933020000007)
Pro Met Ala Val
C18H32N4O5S (416.20933020000007)
Pro Met Gly Ile
C18H32N4O5S (416.20933020000007)
Pro Met Gly Leu
C18H32N4O5S (416.20933020000007)
Pro Met Ile Gly
C18H32N4O5S (416.20933020000007)
Pro Met Leu Gly
C18H32N4O5S (416.20933020000007)
Pro Met Val Ala
C18H32N4O5S (416.20933020000007)
Pro Pro Phe Gly
Pro Pro Gly Phe
Pro Ser Asp Val
Pro Ser Val Asp
Pro Thr Ala Glu
Pro Thr Glu Ala
Pro Val Ala Met
C18H32N4O5S (416.20933020000007)
Pro Val Cys Val
C18H32N4O5S (416.20933020000007)
Pro Val Asp Ser
Pro Val Met Ala
C18H32N4O5S (416.20933020000007)
Pro Val Ser Asp
Pro Val Val Cys
C18H32N4O5S (416.20933020000007)
Gln Ala Ala Gln
Gln Ala Gln Ala
Gln Gly Gly Arg
Gln Gly Asn Val
Gln Gly Arg Gly
Gln Gly Val Asn
Gln Asn Gly Val
Gln Asn Val Gly
Gln Gln Ala Ala
Gln Arg Gly Gly
Gln Val Gly Asn
Gln Val Asn Gly
Arg Ala Gly Asn
Arg Ala Asn Gly
Arg Gly Ala Asn
Arg Gly Gly Gln
Arg Gly Asn Ala
Arg Gly Gln Gly
Arg Asn Ala Gly
Arg Asn Gly Ala
Arg Gln Gly Gly
Ser Asp Pro Val
Ser Asp Val Pro
Ser Pro Asp Val
Ser Pro Val Asp
Ser Val Asp Pro
Ser Val Pro Asp
Thr Ala Glu Pro
Thr Ala Pro Glu
Thr Glu Ala Pro
Thr Glu Pro Ala
Thr Pro Ala Glu
Thr Pro Glu Ala
Val Ala Met Pro
C18H32N4O5S (416.20933020000007)
Val Ala Asn Asn
Val Ala Pro Met
C18H32N4O5S (416.20933020000007)
Val Cys Pro Val
C18H32N4O5S (416.20933020000007)
Val Cys Val Pro
C18H32N4O5S (416.20933020000007)
Val Asp Pro Ser
Val Asp Ser Pro
Val Gly Asn Gln
Val Gly Gln Asn
Val Met Ala Pro
C18H32N4O5S (416.20933020000007)
Val Met Pro Ala
C18H32N4O5S (416.20933020000007)
Val Asn Ala Asn
Val Asn Gly Gln
Val Asn Asn Ala
Val Asn Gln Gly
Val Pro Ala Met
C18H32N4O5S (416.20933020000007)
Val Pro Cys Val
C18H32N4O5S (416.20933020000007)
Val Pro Asp Ser
Val Pro Met Ala
C18H32N4O5S (416.20933020000007)
Val Pro Ser Asp
Val Pro Val Cys
C18H32N4O5S (416.20933020000007)
Val Gln Gly Asn
Val Gln Asn Gly
Val Ser Asp Pro
Val Ser Pro Asp
Val Val Cys Pro
C18H32N4O5S (416.20933020000007)
Val Val Pro Cys
C18H32N4O5S (416.20933020000007)
Citreoviridin D
Armillyl everninate
Ethyl 7-epi-12-hydroxyjasmonate glucoside
8-Daucene-2,4,6-triol, O-(4-Hydroxybenzoyl), 2-Ac
1-N-BOC-4-(3-ETHOXYCARBONYLMETHYL-4-OXO-3,4-DIHYDRO-QUINAZOLIN-6-YL)PIPERAZINE
1H-Azepine,hexahydro-1-[[[1-[2-(4-morpholinyl)-2-oxoethyl]-1H-benzimidazol-2-yl]thio]acetyl]-(9CI)
Deacetylcinobufotalin
Desacetylcinobufotalin is a natural compound; apoptosis inducer and shows the marked inhibition effect to HepG2 cells and the IC50 value is 0.0279μmol/ml.
zanoterone
C23H32N2O3S (416.21335220000003)
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
Dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
(S)-BENZYL 5-AMINO-2-(DIBENZYLAMINO)-5-OXOPENTANOATE
C26H28N2O3 (416.20998180000004)
Cetirizine Ethyl Ester (USP RC A)
C23H29ClN2O3 (416.18665940000005)
2-(5-ETHYL-3,4-DIPHENYL-PYRAZOL-1-YL)-BIPHENYL-3-OL
C29H24N2O (416.18885339999997)
3-methyl-7-(2-butyn-1-yl)-8-(3-(R)-tert-butoxycarbonylaminopiperidin-1-yl)-xanthine
(6β,11β)-21-(Acetyloxy)-11,17-dihydroxy-6-Methylpregna-1,4-diene-3,20-dione
[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
4-Ethyl-2-propyl-1-(2-(1H-tetrazol-5-yl)biphenyl-4-yl)methylimidazole-5-carboxylic acid
C23H24N6O2 (416.19606439999995)
1-Piperazineethanol, 4-(2-chlorophenyl)-alpha-((2-methoxy-4-(1-propenyl)phenoxy)methyl)-
C23H29ClN2O3 (416.18665940000005)
N-(1,3-Benzodioxol-5-Ylmethyl)-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
C26H28N2O3 (416.20998180000004)
[3-(3-carbamoylphenyl)phenyl] N-(6-phenylhexyl)carbamate
C26H28N2O3 (416.20998180000004)
N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
C23H32N2O3S (416.21335220000003)
N1-citryl-N3-decanoyl-N3-hydroxy-1,3-diaminopropane
C19H32N2O8-2 (416.21585519999996)
2-[2-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-2-oxoethyl]-2-hydroxybutanedioic acid
C19H32N2O8 (416.21585519999996)
N-(2H-1,3-benzodioxol-5-ylmethyl)-1-[(1S)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide (I-4)
C26H28N2O3 (416.20998180000004)
1-[3-[4-(2-Chloro-5-methoxyphenyl)-1-piperazinyl]propyl]-3-(4-methylphenyl)urea
4-[[2-(4-Methyl-1-piperidinyl)-1,3-benzothiazol-6-yl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester
1-[2-(4-Methylphenyl)sulfanylethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
C23H32N2O3S (416.21335220000003)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,2-oxazole-5-carboxamide
1-[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-cyclopropylethanone
C26H28N2O3 (416.20998180000004)
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7R,8R)-4-(2-cyclopropylacetyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7S,8R)-4-(2-cyclopropylacetyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7R,8S)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H25FN2O2 (416.18999619999994)
N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-isoxazolecarboxamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-methylacetamide
C20H27F3N2O4 (416.19228180000005)
[(3aR,4R,9bR)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyrazinyl)methanone
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-(3-methoxyphenyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyrazinyl)methanone
[(3aS,4S,9bS)-4-(hydroxymethyl)-8-[2-(4-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone
C26H28N2O3 (416.20998180000004)
(6S,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7S,8R)-8-(hydroxymethyl)-7-[4-(3-methylbut-1-ynyl)phenyl]-4-(1-oxo-2-phenylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7S,8S)-4-(2-cyclopropylacetyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7R,8R)-4-(2-cyclopropylacetyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7S,8S)-4-(2-cyclopropylacetyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6R,7R,8S)-4-(2-cyclopropylacetyl)-8-(hydroxymethyl)-7-[4-[(E)-2-phenylethenyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one
C26H28N2O3 (416.20998180000004)
(6S,7S,8R)-4-[(4-fluorophenyl)methyl]-8-(hydroxymethyl)-7-(4-phenylphenyl)-1,4-diazabicyclo[4.2.0]octan-2-one
C26H25FN2O2 (416.18999619999994)
(1S,2S,4R,8R,9S,11R,12R,13R)-11-hydroxy-8-(2-hydroxyacetyl)-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
Deoxyschizandrin
Deoxyschizandrin is a tannin. Deoxyschizandrin is a natural product found in Schisandra sphenanthera with data available. Schisandrin A inhibits CYP3A activity with an IC50 of 6.60 μM and Ki of 5.83 μM, respectively. Schisandrin A inhibits CYP3A activity with an IC50 of 6.60 μM and Ki of 5.83 μM, respectively.
Duraspiron
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D000451 - Mineralocorticoid Receptor Antagonists D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D045283 - Natriuretic Agents > D004232 - Diuretics
RP 70676
RP 70676 is a potent inhibitor of ACAT, with IC50 of 25 and 44 nM for rat and rabbit ACAT.
(1e,5e,9e)-2-[(1e)-2-(acetyloxy)ethenyl]-6,10-dimethyl-14-methylidene-12,15-dioxopentadeca-1,5,9-trien-1-yl acetate
(3r)-3-[(7r,8s)-5-hydroxy-2,2,7,8-tetramethyl-6-oxo-7h,8h-pyrano[3,2-g]chromen-10-yl]octanoic acid
6-[(1e,3e,5e,7e)-8-[(2r,3s,4s,5s)-3,4-dihydroxy-2,4,5-trimethyloxolan-2-yl]-7-methylocta-1,3,5,7-tetraen-1-yl]-4-methoxy-3,5-dimethylpyran-2-one
4-hydroxy-3-[10-hydroxy-3,7-dimethyl-10-(2-methyl-5-oxooxolan-2-yl)deca-2,6-dien-1-yl]benzoic acid
3,10,12,16-tetramethyl-14-methylidene-15,17-dioxo-18,20-dioxatetracyclo[11.5.2.0¹,⁶.0¹⁶,¹⁹]icos-4-ene-4-carboxylic acid
1-(2,6-dihydroxy-4-methoxyphenyl)-11-(2,6-dihydroxyphenyl)undecan-1-one
2-(acetyloxy)-5,5,9-trimethyl-14-methylidene-10,15-dioxotricyclo[11.2.1.0⁴,⁹]hexadec-1(16)-en-11-yl acetate
(2s)-2-{[(2e,4e,6r)-7-[4-(dimethylamino)phenyl]-1-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dien-1-ylidene]amino}pentanedioic acid
(1r,4as,5r,6as,11ar,11br)-1-(acetyloxy)-4a-hydroxy-4,4,11b-trimethyl-7-methylidene-1h,2h,3h,5h,6h,6ah,11h,11ah-phenanthro[3,2-b]furan-5-yl acetate
2-[2-(acetyloxy)ethenyl]-6,10-dimethyl-14-methylidene-12,15-dioxopentadeca-1,5,9-trien-1-yl acetate
(3z,3as,5ar,6r,7r,9ar,9bs)-7-(acetyloxy)-3a,6,9a-trimethyl-2-oxo-3-(5-oxopent-3-en-2-ylidene)-octahydrocyclopenta[a]naphthalene-6-carboxylic acid
(1s,2r,5s,6s,7s,9r,12r)-5-(acetyloxy)-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0¹,⁶]dodecan-7-yl benzoate
16-hydroxy-9-isopropyl-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,9,12-triene-7,18-dione
(1's,3r,4's,6'r,7'r,8's,11's)-6'-ethyl-6'-(hydroxymethyl)-1-methoxy-2-oxo-10'-oxa-5'-azaspiro[indole-3,2'-tricyclo[5.3.1.0⁴,⁸]undecan]-11'-yl acetate
3-oxo-7-hydroxy-3,7-secorhynchophylline
{"Ingredient_id": "HBIN009410","Ingredient_name": "3-oxo-7-hydroxy-3,7-secorhynchophylline","Alias": "NA","Ingredient_formula": "C22H28N2O6","Ingredient_Smile": "CCC1CN(C(=O)CC1C(=COC)C(=O)OC)CCC2(C3=CC=CC=C3NC2=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16342","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(9r)-14-({[2-(4-hydroxyphenyl)ethyl]amino}methyl)-16-methoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2,4,6,13,15-hexaen-15-ol
C26H28N2O3 (416.20998180000004)