Exact Mass: 386.2386
Exact Mass Matches: 386.2386
Found 263 metabolites which its exact mass value is equals to given mass value 386.2386,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bufalin
Bufalin is a cardiotonic steroid toxin[1] originally isolated from Chinese toad venom, which is a component of some traditional Chinese medicines.[2][3] Bufalin has in vitro antitumor effects against various malignant cell lines, including hepatocellular[4] and lung carcinoma.[5] However, as with other bufadienolides, its potential use is hampered by its cardiotoxicity.[6] Bufalin is a 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo. It has a role as an antineoplastic agent, a cardiotonic drug, an anti-inflammatory agent and an animal metabolite. It is a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is functionally related to a bufanolide. Bufalin is a natural product found in Cunninghamella blakesleeana, Bufo gargarizans, and other organisms with data available. Bufalin is an active ingredient and one of the glycosides in the traditional Chinese medicine ChanSu; it is also a bufadienolide toxin originally isolated from the venom of the Chinese toad Bufo gargarizans, with potential cardiotonic and antineoplastic activity. Although the mechanism of action of bufalin is still under investigation, this agent is a specific Na+/K+-ATPase inhibitor and can induce apoptosis in cancer cell lines through the activation of the transcription factor AP-1 via a mitogen activated protein kinase (MAPK) pathway. A 14beta-hydroxy steroid that is bufan-20,22-dienolide having hydroxy substituents at the 5beta- and 14beta-positions. It has been isolated from the skin of the toad Bufo bufo. Bufalin is an active component isolated from Chan Su, acts as a potent Na+/K+-ATPase inhibitor, binds to the subunit α1, α2 and α3, with Kd of 42.5, 45 and 40 nM, respectively[1][2]. Anti-cancer activity[2]. Bufalin is an active component isolated from Chan Su, acts as a potent Na+/K+-ATPase inhibitor, binds to the subunit α1, α2 and α3, with Kd of 42.5, 45 and 40 nM, respectively[1][2]. Anti-cancer activity[2].
Medroxyprogesteroneacetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 8749 CONFIDENCE standard compound; INTERNAL_ID 2813 D000970 - Antineoplastic Agents Medroxyprogesterone acetate is a widely used synthetic steroid by its interaction with progesterone, androgen and glucocorticoid receptors[1]. Medroxyprogesterone acetate is a widely used synthetic steroid by its interaction with progesterone, androgen and glucocorticoid receptors[1].
Oleandolide
A 14-membererd macrolide containing ten stereocentres carrying one epoxymethano, three hydroxy and five methyl substituents. It is the aglycone of the antibiotic oleandomycin.
12a-Hydroxy-3-oxocholadienic acid
12a-Hydroxy-3-oxocholadienic acid is a bile acid. Bile acids are steroid acids found predominantly in the bile of mammals. The distinction between different bile acids is minute, depending only on the presence or absence of hydroxyl groups on positions 3, 7, and 12. Bile acids are physiological detergents that facilitate excretion, absorption, and transport of fats and sterols in the intestine and liver. Bile acids are also steroidal amphipathic molecules derived from the catabolism of cholesterol. They modulate bile flow and lipid secretion, are essential for the absorption of dietary fats and vitamins, and have been implicated in the regulation of all the key enzymes involved in cholesterol homeostasis. Bile acids recirculate through the liver, bile ducts, small intestine and portal vein to form an enterohepatic circuit. They exist as anions at physiological pH and, consequently, require a carrier for transport across the membranes of the enterohepatic tissues. The unique detergent properties of bile acids are essential for the digestion and intestinal absorption of hydrophobic nutrients. Bile acids have potent toxic properties (e.g. membrane disruption) and there are a plethora of mechanisms to limit their accumulation in blood and tissues (PMID: 11316487, 16037564, 12576301, 11907135). A bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.
10,11-dihydro-20-trihydroxy-leukotriene B4
10,11-dihydro-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region, and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by omega-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the omega-carboxy position and after CoA ester formation (PMID: 7649996, 17623009, 2853166, 6088485). Leukotrienes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. 10,11-Dihydro-20-trihydroxy-leukotriene B4 is the metabolite of lipid omega-oxidation of leukotriene B4 (LTB4). LTB4 is the major metabolite in neutrophil polymorphonuclear leukocytes. Omega-oxidation is the major pathway for the catabolism of leukotriene B4 in human polymorphonuclear leukocytes. Leukotrienes are metabolites of arachidonic acid derived from the action of 5-LO (5-lipoxygenase). The immediate product of 5-LO is LTA4 (leukotriene A4), which is enzymatically converted into either LTB4 (leukotriene B4) by LTA4 hydrolase or LTC4 (leukotriene C4) by LTC4 synthase. The regulation of leukotriene production occurs at various levels, including expression of 5-LO, translocation of 5-LO to the perinuclear region and phosphorylation to either enhance or inhibit the activity of 5-LO. Biologically active LTB4 is metabolized by w-oxidation carried out by specific cytochrome P450s (CYP4F) followed by beta-oxidation from the w-carboxy position and after CoA ester formation. (PMID: 7649996, 17623009, 2853166, 6088485)
9'-Carboxy-alpha-tocotrienol
9-Carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 9-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate. Tocotrienols are members of the vitamin E family. An essential nutrient for the body, vitamin E is made up of four tocopherols (alpha, beta, gamma, delta) and four tocotrienols (alpha, beta, gamma, delta).Chemically, vitamin E is an antioxidant. One model for the function of vitamin E in the body is that it protects cell membranes, active enzyme sites, and DNA from free radical damage. Tocotrienols are natural compounds found in select vegetable oils, wheat germ, barley, saw palmetto, and certain types of nuts and grains. This variant of vitamin E only occur at very low levels in nature. While the majority of research on vitamin E has focused on alpha-tocopherol, studies into tocotrienols account for less than 1\\% of all research into vitamin E. 9-Carboxy-alpha-tocotrienol is a dehydrogenation carboxylate product of 9-hydroxy-a-tocotrienol by an unidentified microsomal enzyme(s) probably via an aldehyde intermediate
(Z)-7-[(1R,2R,3R,5S)-2-(1,2-Dihydroxy-3-oxooctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid
Proligestone
1-[Fluoro(methoxy)phosphoryl]oxyicosa-5,8,11,14-tetraene
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-((4-hydroxycyclohexyl)methyl)-1h-indazole-3-carboxamide
(ent-15beta)-2-Methylpropenoyl-15-Hydroxy-16-kauren-19-oic acid|2-Methylpropenoyl-15-Hydroxy-16-kauren-19-oic acid
6beta-cinnamoyloxy-1beta,4alpha-dihydroxyeudesmane
3beta,7beta,8beta,12zeta,17-pentahydroxylabdan-16,15-olide
(3E,11E)-6,19-epoxy-17,20-dihydroxycembra-3,6,8(19),11,15-pentaene 17-butanoate
3beta,16beta-dihydroxy-5beta,14alpha-bufa-20,22-dienolide
1-[(7beta)-11,12-dihydroxy-15-methoxyabieta-5,8,11,13-tetraen-7-yl]propan-2-one|isolophanthin D
(3beta,5beta)-methyl (3-hydroxy-20-oxo-21-norcholan-14,16-dien-24-oate)
1-acetoxy-5-methyl-2-[(2E,7Z)-3,7,11-trimethyl-2,7-dodecadien-9-onyl]-4-hydroxybenzene
2-hydroxy-5-methoxy-3-[8Z,11Z,14Z-heptadecatriene]-p-benzoquinone|sorgoleone-386
4beta,9beta-dihydroxy-6beta-cinnamoyloxy-eudesmane
(3E,11E)-6,19-epoxy-17,20-dihydroxycembra-3,6,8(19),11,15-pentaene 20-butanoate
4-O-methylgrifolic acid|Grifolic acid methyl ether
Medroxyprogesterone acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D000970 - Antineoplastic Agents Medroxyprogesterone acetate is a widely used synthetic steroid by its interaction with progesterone, androgen and glucocorticoid receptors[1]. Medroxyprogesterone acetate is a widely used synthetic steroid by its interaction with progesterone, androgen and glucocorticoid receptors[1].
MLS000069442-01!MEDROXYPROGESTERONE ACETATE520-85-4
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
5-[12-(3,5-dihydroxyphenyl)dodecyl]benzene-1,3-diol
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based: Match]
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845048]
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid [IIN-based on: CCMSLIB00000845049]
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid_major
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid_minor
(22E)-1α,3β-Dihydroxychola-5,16,22-trien-24-oic Acid
3α-Hydroxy-12-oxo-5β-chola-7,9(11)-dien-24-oic Acid
Proligestone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
[(8S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-1,2,3,4,5,6,7,8,12,14-decahydrocyclopenta[a]phenanthren-3-yl] acetate
N-(2-aminoethyl)ethane-1,2-diamine,2-(chloromethyl)oxirane,hexanedioic acid,N-methylmethanamine
buta-1,3-diene,butyl prop-2-enoate,methyl 2-methylprop-2-enoate,styrene
Pregn-4-ene-3,20-dione,17-(acetyloxy)-6-methyl-, (6b)- (9CI)
3β-Acetoxy-16α,17α-epoxy-16β-methyl-5α-pregn-9-en-20-on
butyl 2-methylprop-2-enoate,2-hydroxypropyl 2-methylprop-2-enoate,methyl 2-methylprop-2-enoate
16α,17α-Epoxy-16β-methyl-Δ5-pregnen-3β-ol-20-on-3-acetat
Algestone acetonide
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-Butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine
PSB36 is a potent and selective antagonist of adenosine A1 receptor, with Kis 0.12 nM, 187 nM, 552 nM, 2300 nM, and 6500 nM for rA1, hA2B, rA2A, hA3 and rA3 receptors respectively. PSB36 can be used for the research of hyperalgesia[1][2].
(8R)-8-({3,6-dideoxy-4-O-[(2E)-2-methylbut-2-enoyl]-alpha-L-arabino-hexopyranosyl}oxy)nonanoic acid
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-, (E,E)-
(S)-N-(4-Carbamimidoylbenzyl)-1-(2-(Cyclohexyloxy)ethanoyl)pyrrolidine-2-Carboxamide
1-[Fluoro(methoxy)phosphoryl]oxyicosa-5,8,11,14-tetraene
(E)-7-[2-(1,2-dihydroxy-3-oxooctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid
[(6S,10R,13S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
(1R,2R,6R)-3-methyl-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate
2-[2-[[5-[1-(Dimethylamino)propyl]-4-[2-(4-morpholinyl)ethyl]-1,2,4-triazol-3-yl]thio]ethylamino]ethanol
(4R,7R)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4S,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S,8S)-8-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
5-[12-(3,5-Dihydroxyphenyl)dodecyl]benzene-1,3-diol
(4S,7R)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(4R,7S)-4-[(4-methoxyphenyl)methyl]-7-(2-methylpropyl)-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one
(5S,8R)-8-[(4-methoxyphenyl)methyl]-5-(2-methylpropyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one
(5S,6Z,8E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoic acid
[(6S,8R,9R,10R,13S,14S,17S)-17-acetyl-6,10,13-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
(22E)-1alpha,3beta-Dihydroxychola-5,16,22-trien-24-oic Acid
3alpha-Hydroxy-12-oxo-5beta-chola-7,9(11)-dien-24-oic Acid
yanuthone K
A class I yanuthone that is 5,6-epoxy-cyclohex-2-en-1-one which is substituted at positions 3, 4, and 6 by methyl, acetoxy, and trans,trans-farnesyl groups, respectively (the R,R,R stereoisomer). Isolated from the filamentous fungus Aspergillus niger, it shows antifungal activity towards the pathogenic yeast Candida albicans (IC50 = 17.5 +-3.9 muM).
[(3s,5s)-3,5-dimethyl-5-[(5e,9e)-2-methyl-10-phenyldeca-5,9-dien-1-yl]-1,2-dioxolan-3-yl]acetic acid
(1s,3r,4r,6r,7s,8s,9r,10r,13r,14r,16s)-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,7,9,14,16-heptol
1,2,4-trimethyl (1s)-1-(dec-9-en-1-yl)-2-hydroxybutane-1,2,4-tricarboxylate
3-(acetyloxy)-2,2,5,8-tetramethyl-3,3a,3a¹,4,5,5a,6,7,8,9-decahydro-1h-pyren-4-yl acetate
(1s,3r,4s,6r,7r,8r,9s,10r,13r,14s,16r)-5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,7,9,14,16-heptol
2-[(4z,8s,10e)-5-(hydroxymethyl)-11-methyl-14-oxabicyclo[11.2.1]hexadeca-1(15),4,10,13(16)-tetraen-8-yl]prop-2-en-1-yl butanoate
[9-(acetyloxy)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methyl acetate
4-hydroxy-5-methyl-2-(3,7,11-trimethyl-9-oxododeca-2,7-dien-1-yl)phenyl acetate
1-acetyl-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione
(1s,3ar,5ar,7s,9as,11ar)-1-acetyl-7-hydroxy-3a,6,6,9a,11a-pentamethyl-1h,2h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthrene-3,10-dione
(1r,2s,4s,4as,8s,8as)-4,8-dihydroxy-2-isopropyl-4a,8-dimethyl-octahydronaphthalen-1-yl (2e)-3-phenylprop-2-enoate
4-[(7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methoxy]-4-oxobutanoic acid
3-{1-hydroxy-2-[2,3,6-trihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-hexahydro-1h-naphthalen-1-yl]ethyl}oxolan-2-one
(1r,2s,4ar,5r,8s,8as)-5,8-dihydroxy-2-isopropyl-4a,8-dimethyl-octahydronaphthalen-1-yl (2e)-3-phenylprop-2-enoate
5,5,9,14-tetramethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁸]hexadecane-3,4,6,7,9,14,16-heptol
(1r,2r,6r)-3-methyl-5-oxo-6-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-yl acetate
(2z,12z,14e)-16-(3,5-dihydroxyphenyl)-2-ethylidenehexadeca-12,14-dienoic acid
18-hydroxyabieta-8, 11,13-triene
{"Ingredient_id": "HBIN002134","Ingredient_name": "18-hydroxyabieta-8, 11,13-triene","Alias": "NA","Ingredient_formula": "C24H34O4","Ingredient_Smile": "CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)COC(=O)CCC(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41745","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
