Exact Mass: 386.2417
Exact Mass Matches: 386.2417
Found 500 metabolites which its exact mass value is equals to given mass value 386.2417,
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].
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.
Mangalkanyl glucoside
Mangalkanyl glucoside is found in fruits. Mangalkanyl glucoside is a constituent of the root bark of Mangifera indica (mango) Constituent of the root bark of Mangifera indica (mango). Mangalkanyl glucoside is found in fruits.
Cryptomeridiol 11-rhamnoside
Cryptomeridiol 11-rhamnoside is a constituent of fruits of Cananga odorata (ylang ylang). Constituent of fruits of Cananga odorata (ylang ylang)
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
Glycerol trihexanoate
Glycerol trihexanoate is a probable constituent of fat Probable constituent of fats.
N-Lauroyl Tryptophan
N-lauroyl tryptophan belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Lauric acid amide of Tryptophan. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Lauroyl Tryptophan is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Lauroyl Tryptophan is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
(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
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
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
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl)thiophene-1-oxide
1-[(7beta)-11,12-dihydroxy-15-methoxyabieta-5,8,11,13-tetraen-7-yl]propan-2-one|isolophanthin D
15,16-dihydroxy-9Z,12Z-octadecadienoic acid 2,3-dihydroxypropyl ester
(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
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 Leu Ala Ile
Ala Leu Ala Leu
Ala Leu Ile Ala
Ala Leu Leu Ala
Ala Ser Leu Pro
Ala Val Val Val
Gly Ile Val Val
Gly Leu Val Val
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 Gly Val Val
Ile Ile Ala Ala
Ile Leu Ala Ala
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 Gly Val Val
Leu Ile Ala Ala
Leu Leu Ala Ala
Leu Val Gly Val
Leu Val Val Gly
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
Tricaproin
A triglyceride obtained by condensation of each of the three hydroxy groups of glycerol with hexanoic (caproic) acid.
Cryptomeridiol 11-rhamnoside
ascr#25
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E,14R)-14-hydroxypentadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
oscr#25
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-15-hydroxypentadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
2-ethyl-2-[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate
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
1-(DODECYLOXY)-4-((4-ETHYNYLPHENYL)ETHYNYL)BENZENE
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].
(2E,14R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentadec-2-enoic acid
(2E)-15-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentadec-2-enoic acid
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)-
(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
1-[Fluoro(methoxy)phosphoryl]oxyicosa-5,8,11,14-tetraene
[3-carboxy-2-[(E)-12-carboxydodec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-12-carboxydodec-10-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-12-carboxydodec-11-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-12-carboxydodec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-12-carboxydodec-9-enoyl]oxypropyl]-trimethylazanium
(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
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
1-Cyclohexyl-4-[1-[1-[(4-fluorophenyl)methyl]-5-tetrazolyl]propyl]piperazine
(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
N-[[(2R,3S,4S)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methylpropyl)propanamide
N-[[(2R,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxy-N-propan-2-ylacetamide
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
N-[[(2S,3R,4R)-1-[cyclobutyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methylpropyl)propanamide
N-[[(2S,3S,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxy-N-propan-2-ylacetamide
N-[[(2S,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxy-N-propan-2-ylacetamide
N-[[(2R,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxy-N-propan-2-ylacetamide
6-[4-[1-[(3S)-3-hydroxycyclohexyl]-2H-tetrazol-1-ium-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
(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
6-[4-[1-(3-hydroxycyclohexyl)-2H-tetrazol-1-ium-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
[(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
(1R,2S,5R)-5-Methyl-2-(1-methyl-1-(2-naphthyl)ethyl)-cyclohexane-1-YL benzoate
[1-carboxy-3-[3-[(4E,7E)-deca-4,7-dienoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
(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
(2s,3s)-3-{[(1s)-1-[bis(4-aminobutyl)carbamoyl]-3-methylbutyl]-c-hydroxycarbonimidoyl}oxirane-2-carboxylic 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
(2s,3r,4r,5r,6s)-2-({2-[(2r,4ar,8r,8ar)-8-hydroxy-4a,8-dimethyl-octahydronaphthalen-2-yl]propan-2-yl}oxy)-6-methyloxane-3,4,5-triol
(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"}
