Exact Mass: 416.2208
Exact Mass Matches: 416.2208
Found 500 metabolites which its exact mass value is equals to given mass value 416.2208
,
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.
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).
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
Methylprednisolone acetate
Phyltetralin
Tridesilon
D000893 - Anti-Inflammatory Agents
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.
[(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
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
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
4-Hydroxy-2-[11-(3,4-methylenedioxyphenyl)undecanoyl]cyclohexane-1,3-dione
14beta,15beta-diacetoxy-ent-kaur-16-en-3,7-dione|hubeirubesin B
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
(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
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
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
[(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 Asp Ile Val
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Citreoviridin D
Armillyl everninate
8-Daucene-2,4,6-triol, O-(4-Hydroxybenzoyl), 2-Ac
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
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen
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
N-(3-Amino-4-chlorophenyl)-2-(2,4-di-tert-pentylphenoxy)acetamide
N-({(3R,4R)-4-[(benzyloxy)methyl]pyrrolidin-3-yl}methyl)-N-(2-methylpropyl)benzenesulfonamide
N1-citryl-N3-decanoyl-N3-hydroxy-1,3-diaminopropane
2-[2-[3-[[(E)-dec-2-enoyl]-hydroxyamino]propylamino]-2-oxoethyl]-2-hydroxybutanedioic acid
(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.
GR 125743
GR 125743 is a selective 5-HT1B/1D receptor antagonist, with pKis of 8.85 and 8.31 for wild-type h5-HT1B and wild-type h5-HT1D, respectively. GR 125743 is used for the research of Parkinson's disease and cardiovascular diseases[1][2].
(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
(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
3-[(1r,2r,4ar,6s,8as)-2-hydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-oxopropyl 2-(3,4-dihydroxyphenyl)acetate
7-{[(2e,6e,10r)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dien-1-yl]oxy}-5-hydroxychromen-2-one
4,6-dihydroxy-7-isopropyl-4a-methyl-1-methylidene-octahydronaphthalen-2-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2s,4ar,4bs,5r,6as,10as,10bs,12as)-5-hydroxy-2,4b,7,7,10a,12a-hexamethyl-12-methylidene-octahydrophenanthro[1,2-c]pyran-1,4,6,8-tetrone
1-(acetyloxy)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl 4-hydroxybenzoate
2-[8-methyl-2,10-bis(2-oxopropyl)-3,11-dioxatricyclo[6.3.1.0¹,⁵]dodec-5-en-12-yl]ethenyl 3-methylbut-2-enoate
(1e,5r,10s,12z,14s,16s,17r,20s)-16-hydroxy-9-isopropyl-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione
methyl 2-{2,5-dihydroxy-4-[(2e,6e,8r)-8-hydroxy-3,7,11-trimethyl-9-oxododeca-2,6,10-trien-1-yl]phenyl}acetate
7-(acetyloxy)-7-methyl-11-methylidene-4-(4-methylpent-3-enoyl)-1h,4ah,5h,6h,10h,11ah-cyclonona[c]pyran-1-yl acetate
4-{[(1r,4as,10ar)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2h-phenanthren-1-yl]methoxy}-4-oxobutanoic acid
4-hydroxy-3-[(2e,6e,10s)-10-hydroxy-3,7-dimethyl-10-[(2r)-2-methyl-5-oxooxolan-2-yl]deca-2,6-dien-1-yl]benzoic acid
(1e,5s,10r,12e,14r,16r,17s,20r)-16-hydroxy-9-isopropyl-2,5,13,16-tetramethyl-6,15,19-trioxatetracyclo[12.5.1.0⁵,¹⁰.0¹⁷,²⁰]icosa-1,8,12-triene-7,18-dione
2,3-dihydre-4,5,7-trimethoxy-1-ethyl-2-methyl-3-(2,4,5-trimethoxyphenyl)indene
{"Ingredient_id": "HBIN003973","Ingredient_name": "2,3-dihydre-4,5,7-trimethoxy-1-ethyl-2-methyl-3-(2,4,5-trimethoxyphenyl)indene","Alias": "NA","Ingredient_formula": "C24H32O6","Ingredient_Smile": "CCC1C(C(C2=C1C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34424","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
andamanicin
{"Ingredient_id": "HBIN016001","Ingredient_name": "andamanicin","Alias": "NA","Ingredient_formula": "C24H32O6","Ingredient_Smile": "CC1C(C(C1C2=CC(=C(C=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1148","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
atranone a
{"Ingredient_id": "HBIN017313","Ingredient_name": "atranone a","Alias": "NA","Ingredient_formula": "C24H32O6","Ingredient_Smile": "CC1=C2C3C(C(=O)O2)C(OC3C(=CCC4C(=CC(=O)OC4(CC1)C)C(C)C)C)(C)O","Ingredient_weight": "416.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1983","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "15432357","DrugBank_id": "NA"}