Exact Mass: 386.22958500000004
Exact Mass Matches: 386.22958500000004
Found 500 metabolites which its exact mass value is equals to given mass value 386.22958500000004
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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].
Euglobal Ia1
Euglobal Ia2 is a constituent of Eucalyptus globulus (tasmanian blue gum) Constituent of Eucalyptus globulus (Tasmanian blue gum).
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.
Euglobal Ib
Euglobal IIa is a constituent of Eucalyptus globulus (Tasmanian blue gum) Constituent of Eucalyptus globulus (Tasmanian blue gum).
Euglobal IIc
Euglobal IIc is a constituent of Eucalyptus globulus (Tasmanian blue gum)
Euglobal IIb
Euglobal IIb is a constituent of Eucalyptus globulus (Tasmanian blue gum)
17-phenyl-18,19,20-trinor-prostaglandin E2
17-phenyl-18,19,20-trinor-prostaglandin E2, also known as 17-Phenyl-omega-trinor-pge2 or CL 116147, is classified as a member of the Prostaglandins and related compounds. Prostaglandins and related compounds are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid. 17-phenyl-18,19,20-trinor-prostaglandin E2 is considered to be practically insoluble (in water) and acidic. 17-phenyl-18,19,20-trinor-prostaglandin E2 is an eicosanoid lipid molecule
17-phenyl-18,19,20-trinor-prostaglandin D2
17-phenyl-18,19,20-trinor-prostaglandin D2 is also known as 17-Phenyl-omega-trinor-PGD2. 17-phenyl-18,19,20-trinor-prostaglandin D2 is considered to be practically insoluble (in water) and acidic
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
Aragest
bufalin
Proligestone
TIC10
TIC10 isomer
1-[Fluoro(methoxy)phosphoryl]oxyicosa-5,8,11,14-tetraene
C21H36FO3P (386.23859680000004)
Ankaflavin
Ankaflavin is a natural product found in Monascus purpureus and Monascus pilosus with data available.
Trichodermadiene
N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-1-((4-hydroxycyclohexyl)methyl)-1h-indazole-3-carboxamide
C21H30N4O3 (386.23177899999996)
1-acetyl-16-methoxy-aspidospermidine-17,21-diol|3-Methoxy-limapodin
(ent-15beta)-2-Methylpropenoyl-15-Hydroxy-16-kauren-19-oic acid|2-Methylpropenoyl-15-Hydroxy-16-kauren-19-oic acid
7alpha-Acetoxy-4,4,8-trimethyl-5alpha-17-oxa-androsta-1,14-dien-3,16-dione|beta-nimolactone
Euglobal IIc
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
6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-alpha-L-furanose-form-Me glycoside, 3,5-dibenzyl|6-Deoxy-2-O-methyl-3-C-methuyltalose, 9CI-beta-L-Furanose-form-Me glycoside, 3,5-dibenzyl
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
(3S,10S,13R,14S)-3,14-dihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carbaldehyde
4beta,9beta-dihydroxy-6beta-cinnamoyloxy-eudesmane
(3E,11E)-6,19-epoxy-17,20-dihydroxycembra-3,6,8(19),11,15-pentaene 20-butanoate
6-(3,4-Methulenedioxybenzoyl)-8-Daucene-4,6-diol|jaeskeanidin
17-nor-15-oxo-8,11,13-abietatrien-18-butanedioic acid|abiesanordine L
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
6-[(2E,4E,6E)-4,6-dimethyl-7-(1,2,4-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-4-yl)hepta-2,4,6-trien-2-yl]-4-methoxy-5-methylpyran-2-one
2-[5-[2-[2-[5-(2-hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
(2R,2R,4aS,6R,8aS)-4,6-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,5,6,7,8,8a-octahydro-2H,3H-spiro[benzo[2,1-b:3,4-c]difuran-2,1-naphthalen]-6(8H)-one
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
[(5R,5aS,9aS,9bS)-9b-hydroxy-6,6,9a-trimethyl-1-oxo-3,5,5a,7,8,9-hexahydrobenzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Ala Ala Ile Ile
Ala Ala Ile Leu
Ala Ala Leu Ile
Ala Ala Leu Leu
Ala Ile Ala Ile
Ala Ile Ala Leu
Ala Ile Ile Ala
Ala Ile Leu Ala
Ala Ile Pro Ser
Ala Ile Ser Pro
Ala Leu Ala Ile
Ala Leu Ala Leu
Ala Leu Ile Ala
Ala Leu Leu Ala
Ala Leu Pro Ser
Ala Leu Ser Pro
Ala Pro Ile Ser
Ala Pro Leu Ser
Ala Pro Ser Ile
Ala Pro Ser Leu
Ala Pro Thr Val
Ala Pro Val Thr
Ala Ser Ile Pro
Ala Ser Leu Pro
Ala Ser Pro Ile
Ala Ser Pro Leu
Ala Thr Pro Val
Ala Thr Val Pro
Ala Val Pro Thr
Ala Val Thr Pro
Ala Val Val Val
Gly Ile Pro Thr
Gly Ile Thr Pro
Gly Ile Val Val
Gly Leu Pro Thr
Gly Leu Thr Pro
Gly Leu Val Val
Gly Pro Ile Thr
Gly Pro Leu Thr
Gly Pro Thr Ile
Gly Pro Thr Leu
Gly Thr Ile Pro
Gly Thr Leu Pro
Gly Thr Pro Ile
Gly Thr Pro Leu
Gly Val Ile Val
Gly Val Leu Val
Gly Val Val Ile
Gly Val Val Leu
Ile Ala Ala Ile
Ile Ala Ala Leu
Ile Ala Ile Ala
Ile Ala Leu Ala
Ile Ala Pro Ser
Ile Ala Ser Pro
Ile Gly Pro Thr
Ile Gly Thr Pro
Ile Gly Val Val
Ile Ile Ala Ala
Ile Leu Ala Ala
Ile Pro Ala Ser
Ile Pro Gly Thr
Ile Pro Ser Ala
Ile Pro Thr Gly
Ile Ser Ala Pro
Ile Ser Pro Ala
Ile Thr Gly Pro
Ile Thr Pro Gly
Ile Val Gly Val
Ile Val Val Gly
Leu Ala Ala Ile
Leu Ala Ala Leu
Leu Ala Ile Ala
Leu Ala Leu Ala
Leu Ala Pro Ser
Leu Ala Ser Pro
Leu Gly Pro Thr
Leu Gly Thr Pro
Leu Gly Val Val
Leu Ile Ala Ala
Leu Leu Ala Ala
Leu Pro Ala Ser
Leu Pro Gly Thr
Leu Pro Ser Ala
Leu Pro Thr Gly
Leu Ser Ala Pro
Leu Ser Pro Ala
Leu Thr Gly Pro
Leu Thr Pro Gly
Leu Val Gly Val
Leu Val Val Gly
Pro Ala Ile Ser
Pro Ala Leu Ser
Pro Ala Ser Ile
Pro Ala Ser Leu
Pro Ala Thr Val
Pro Ala Val Thr
Pro Gly Ile Thr
Pro Gly Leu Thr
Pro Gly Thr Ile
Pro Gly Thr Leu
Pro Ile Ala Ser
Pro Ile Gly Thr
Pro Ile Ser Ala
Pro Ile Thr Gly
Pro Leu Ala Ser
Pro Leu Gly Thr
Pro Leu Ser Ala
Pro Leu Thr Gly
Pro Ser Ala Ile
Pro Ser Ala Leu
Pro Ser Ile Ala
Pro Ser Leu Ala
Pro Thr Ala Val
Pro Thr Gly Ile
Pro Thr Gly Leu
Pro Thr Ile Gly
Pro Thr Leu Gly
Pro Thr Val Ala
Pro Val Ala Thr
Pro Val Thr Ala
Ser Ala Ile Pro
Ser Ala Leu Pro
Ser Ala Pro Ile
Ser Ala Pro Leu
Ser Ile Ala Pro
Ser Ile Pro Ala
Ser Leu Ala Pro
Ser Leu Pro Ala
Ser Pro Ala Ile
Ser Pro Ala Leu
Ser Pro Ile Ala
Ser Pro Leu Ala
Thr Ala Pro Val
Thr Ala Val Pro
Thr Gly Ile Pro
Thr Gly Leu Pro
Thr Gly Pro Ile
Thr Gly Pro Leu
Thr Ile Gly Pro
Thr Ile Pro Gly
Thr Leu Gly Pro
Thr Leu Pro Gly
Thr Pro Ala Val
Thr Pro Gly Ile
Thr Pro Gly Leu
Thr Pro Ile Gly
Thr Pro Leu Gly
Thr Pro Val Ala
Thr Val Ala Pro
Thr Val Pro Ala
Val Ala Pro Thr
Val Ala Thr Pro
Val Ala Val Val
Val Gly Ile Val
Val Gly Leu Val
Val Gly Val Ile
Val Gly Val Leu
Val Ile Gly Val
Val Ile Val Gly
Val Leu Gly Val
Val Leu Val Gly
Val Pro Ala Thr
Val Pro Thr Ala
Val Thr Ala Pro
Val Thr Pro Ala
Val Val Ala Val
Val Val Gly Ile
Val Val Gly Leu
Val Val Ile Gly
Val Val Leu Gly
Val Val Val Ala
(22E)-1α,3β-Dihydroxychola-5,16,22-trien-24-oic Acid
3α-Hydroxy-12-oxo-5β-chola-7,9(11)-dien-24-oic Acid
17-phenyl trinor 8-iso Prostaglandin E2
17-phenyl trinor Prostaglandin D2
15-keto-17-phenyl trinor PGF2&alpha
Euglobal Ib
Euglobal IIb
Anecortave Acetate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
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
C15H35ClN4O5 (386.22958500000004)
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
7-Benzyl-4-(2-methylbenzyl)-1,2,6,7,8,9-hexahydroimidazo[1,2-A]pyrido[3,4-E]pyrimidin-5(4H)-one
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C174048 - ERK Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C155764 - AKT Inhibitor D000970 - Antineoplastic Agents
7-Benzyl-10-(2-methylbenzyl)-2,3,6,7,8,9-hexahydroimidazo[1,2-a]pyrido[4,3-d]pyrimidin-5(10H)-one
1-Butyl-8-(3-noradamantyl)-3-(3-hydroxypropyl)xanthine
C21H30N4O3 (386.23177899999996)
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].
N-(4,6-dimethyl-2-pyrimidinyl)-1,3-bis(phenylmethyl)-2,4-dihydro-1,3,5-triazin-6-amine
(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)-
3-(5-{[4-(Aminomethyl)piperidin-1-Yl]methyl}-1h-Indol-2-Yl)quinolin-2(1h)-One
5-[(3r)-3-(5-Methoxy-3,5-Dimethylbiphenyl-3-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
5-[(3r)-3-(5-Methoxy-2,6-Dimethylbiphenyl-3-Yl)but-1-Yn-1-Yl]-6-Methylpyrimidine-2,4-Diamine
6-[N-(1-Isopropyl-1,2,3,4-tetrahydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine
N-{[(2s,3s)-3-(Ethoxycarbonyl)oxiran-2-Yl]carbonyl}-L-Isoleucyl-L-Isoleucine
(1s,3r,4s,5s,7s)-4-{[2-(4-Methoxyphenoxy)-2-Methylpropanoyl]amino}adamantane-1-Carboxamide
(S)-N-(4-Carbamimidoylbenzyl)-1-(2-(Cyclohexyloxy)ethanoyl)pyrrolidine-2-Carboxamide
C21H30N4O3 (386.23177899999996)
1-[Fluoro(methoxy)phosphoryl]oxyicosa-5,8,11,14-tetraene
C21H36FO3P (386.23859680000004)
(E)-7-[2-(1,2-dihydroxy-3-oxooctyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid
12-Methyl-5-dehydroacetylhorminone
An abietane diterpenoid that is the acetate ester of 12-methyl-5-dehydrohorminone. Isolated from the roots of Salvia multicaulis, it exhibits antitubercular activity.
[(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
8-[4-(2,3-Dihydro-1,4-benzodioxin-3-ylmethylamino)butyl]-8-azaspiro[4.5]decane-7,9-dione
(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
17-phenyl-18,19,20-trinor-prostaglandin E2
A prostanoid that is 18,19,20-trinor-prostaglandin E2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group.
(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
C21H30N4O3 (386.23177899999996)
(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
C21H30N4O3 (386.23177899999996)
(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
C21H30N4O3 (386.23177899999996)
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
C21H30N4O3 (386.23177899999996)
(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
C21H30N4O3 (386.23177899999996)
(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
C21H30N4O3 (386.23177899999996)
[(2R,3S)-3-phenyl-1,6-bis(pyridin-4-ylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(1S)-1-[[(2R)-2-(1,4-dihydropyrazine-2-carbonylamino)-3-phenylpropanoyl]amino]-3-methylbutyl]boronic acid
6-[4-[1-[(3S)-3-hydroxycyclohexyl]-2H-tetrazol-1-ium-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
C20H28N5O3+ (386.21920380000006)
(5S,6Z,8E,12S,14Z)-5,12,20,20,20-pentahydroxyicosa-6,8,14-trienoic acid
(4S)-6-[4-(1-cyclohexyl-2H-tetrazol-1-ium-5-yl)butoxy]-4-hydroxy-3,4-dihydro-1H-quinolin-2-one
C20H28N5O3+ (386.21920380000006)
6-[4-[1-(3-hydroxycyclohexyl)-2H-tetrazol-1-ium-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
C20H28N5O3+ (386.21920380000006)
(2E,4E)-2,4,6-Octatrienoic acid [(5R)-1,3,5,5aalpha,6,7,8,9,9a,9balpha-decahydro-9balpha-hydroxy-6,6,9abeta-trimethyl-1-oxonaphtho[1,2-c]furan]-5beta-yl ester
[(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
(8xi,9xi,14xi,17xi)-3,14-Dihydroxy-19-oxocarda-4,20(22)-dienolide
(3-Decoxy-2-hydroxypropyl) 2,3-dihydroxypropyl hydrogen phosphate
6-[(2E,4E,6E)-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-2,4,6-trien-2-yl]-4-methoxy-5-methylpyran-2-one
(1R,2S,5R)-5-Methyl-2-(1-methyl-1-(2-naphthyl)ethyl)-cyclohexane-1-YL benzoate
17-phenyl-18,19,20-trinor-prostaglandin D2
A prostanoid that is 18,19,20-trinor-prostaglandin D2 in which one of the terminal methyl hydrogens has been replaced by a phenyl group.
(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).
mbas#10
A 4-O-[(E)-2-methyl-2-butenoyl]ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.