Exact Mass: 390.2535
Exact Mass Matches: 390.2535
Found 500 metabolites which its exact mass value is equals to given mass value 390.2535,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Compactin
A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C471 - Enzyme Inhibitor > C1655 - HMG-CoA Reductase Inhibitor D009676 - Noxae > D000963 - Antimetabolites Mevastatin (Compactin) is a first HMG-CoA reductase inhibitor that belongs to the statins class. Mevastatin is a lipid-lowering agent, and induces apoptosis, arrests cancer cells in G0/G1 phase. Mevastatin also increases endothelial nitric oxide synthase (eNOS) mRNA and protein levels. Mevastatin has antitumor activity and has the potential for cardiovascular diseases treatment[1][2][3]. Mevastatin (Compactin) is a first HMG-CoA reductase inhibitor that belongs to the statins class. Mevastatin is a lipid-lowering agent, and induces apoptosis, arrests cancer cells in G0/G1 phase. Mevastatin also increases endothelial nitric oxide synthase (eNOS) mRNA and protein levels. Mevastatin has antitumor activity and has the potential for cardiovascular diseases treatment[1][2][3].
3beta,17-Dihydroxy-5alpha-pregnane-11,20-dione 3-acetate
15-deoxy-delta12,14-Prostaglandin J2-2-glycerol ester
15-deoxy-Δ12,14-Prostaglandin J2-2-glycerol ester (15-deoxy-Δ12,14-PGJ2-2-glycerol ester) is formed from PGD2 by the elimination of two molecules of water. It binds selectively to PPARγ with an EC50 value of 2 ?M in a murine chimera system.1,2 15-deoxy-Δ12,14-PGJ2-2-glycerol ester is more potent than PGD2, Δ12-PGJ2, and PGJ2 in stimulating lipogenesis in C3H10T1/2 cells. The EC50 value for induction of adipocyte differentiation in cultured fibroblasts is 7 ?M.1 PG glycerol esters are generated by the action of cyclooxygenase-2 on the endocannabinoid 2-arachidonyl glycerol.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. While the stability and metabolism of these PG products has been investigated,4 little is known about their intrinsic biological activity. [HMDB] 15-deoxy-Δ12,14-Prostaglandin J2-2-glycerol ester (15-deoxy-Δ12,14-PGJ2-2-glycerol ester) is formed from PGD2 by the elimination of two molecules of water. It binds selectively to PPARγ with an EC50 value of 2 ¬µM in a murine chimera system.1,2 15-deoxy-Δ12,14-PGJ2-2-glycerol ester is more potent than PGD2, Δ12-PGJ2, and PGJ2 in stimulating lipogenesis in C3H10T1/2 cells. The EC50 value for induction of adipocyte differentiation in cultured fibroblasts is 7 ¬µM.1 PG glycerol esters are generated by the action of cyclooxygenase-2 on the endocannabinoid 2-arachidonyl glycerol.3 The biosynthesis of PGH, PGD, PGE, PGF, and TXA-2-glyceryl ester compounds have all been documented. While the stability and metabolism of these PG products has been investigated,4 little is known about their intrinsic biological activity.
Digoxigenin
Digoxigenin is a metabolite of digoxin. Digoxigenin (DIG) is a steroid found exclusively in the flowers and leaves of the plants Digitalis purpurea, Digitalis orientalis and Digitalis lanata (foxgloves), where it is attached to sugars, to form the glycosides. (Wikipedia)
Tussilagone
Constituent of Tussilago farfara (coltsfoot). 9alpha-(3-Methyl-2E-pentenoyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate is found in tea. Tussilagone is found in tea. Tussilagone is a constituent of Tussilago farfara (coltsfoot). Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2]. Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2].
Annoglabasin A
Annoglabasin D is found in alcoholic beverages. Annoglabasin D is a constituent of Annona glabra (pond apple) Constituent of Annona glabra (pond apple). Annoglabasin A is found in alcoholic beverages and fruits.
Treprostinil
Treprostinil is only found in individuals that have used or taken this drug. It is a synthetic analogue of prostacyclin, used to treat pulmonary hypertension. Treprostinil is marketed as Remodulin®. [Wikipedia]The major pharmacological actions of treprostinil are direct vasodilation of pulmonary and systemic arterial vascular beds and inhibition of platelet aggregation. In addition to treprostinils direct vasodilatory effects, it also inhibits inflammatory cytokine. As a synthetic analogue of prostacyclin, it binds to the prostacyclin receptor, which subsequently induces the aforementioned downstream effects. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
Alphadolone acetate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D000081227 - Neurosteroids
Gitoxigenin
Mevastatin
Periplogenin
1-(4-Hydroxyphenyl)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraen-2-one
(E)-2-Cyano-3-(4-hydroxy-3,5-diisopropylphenyl)-N-(3-phenylpropyl)acrylamide
8H-Purin-8-one, 6-amino-7,9-dihydro-2-((1S)-1-methylbutoxy)-9-(5-(1-piperidinyl)pentyl)-
Sodium stearyl fumarate
It is used as a food additive .
Periplogenin
Periplogenin is a natural product found in Rohdea japonica, Periploca sepium, and other organisms with data available. Periplogenin is a naturally occurring furanocoumarin found in Angelica dahurica roots, with potent anti-psoriatic effects. Periplogenin induces adipocyte differentiation[1][2]. Periplogenin is a naturally occurring furanocoumarin found in Angelica dahurica roots, with potent anti-psoriatic effects. Periplogenin induces adipocyte differentiation[1][2].
95N0GBB2SX
Unii-95N0gbb2SX is a natural product found in Tussilago farfara and Parasenecio petasitoides with data available. See also: Tussilago farfara flower (part of); Tussilago farfara leaf (part of). Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2]. Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2].
3,4-Methano-4,6-(2-methylpropane-1,3-diyl)-4,6-(ethane-1,2-diylidene)-[2,9a-methylenebis(octahydro-1H-quinolizine)]-2-ene 7-one
Methyl ent-16-acetoxy-17-oxo-7,13E-labdadien-15-oate
Methyl ent-16-acetoxy-6-oxo-7,13E-labdadien-15-oate
Methyl ent-16-acetoxy-17-oxo-6,13E-labdadien-15-oate
(E,E,E)-2-(4,8,12-Trimethyl-3,7,11-tridecatrienyl)-2-butene-1,4-diol diacetate
Methyl ent-16-acetoxy-6-oxo-7,13Z-labdadien-15-oate
Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone
N1-(5-Oct-1-ynyl-3-pyridyl)-4-phenylpiperazine-1-carboxamide
4-(3-hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoic acid
irciformonin I|rel-(5R)-5-[(1S,5E,8E)-11-(furan-3-yl)-1-hydroxy-4-methoxy-4,8-dimethylundeca-5,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one
Alphadolone acetate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018377 - Neurotransmitter Agents > D000081227 - Neurosteroids
(8E,12E)-(4R,10S,11R,14R)-10-hydroxy-14-((E)-(1R,2R)-1-hydroxy-2-methylhept-3-enyl)-4,11-dimethyl-5-methyleneoxacyclotetradeca-8,12-dien-2-one|amphidinolide R
15alpha-Acetoxy-16.17-epoxy-ent-Kaurensaeuremethylester
(3S,4S,6S,15E,17E,19E)-4,6-dimethyl-4-hydroxy-3,6-peroxydocosa-15,17,19-trienoic acid 1,4-lactone|plakortolide J
(3alpha,7alpha)-3,7-Dihydroxychol-4-3n-24-oic acid
9-Ac, Me ester-(ent-15beta)-9, 15-Dihydroxy-16-kauren-19-oic acid
methyl 15-propionyloxy-1(10),13E-ent-halimadiene-18-oate
(3beta,5beta,16beta,20S,21S)-16,21-Epoxy-3,14-dihydroxyeardanolide|Isogitoxigenin
(8E,12E)-(4R,10S,11R,14R,15R)-10,14-dihydroxy-4,11-dimethyl-5-methylene-15-((E)-(R)-1-methylhex-2-enyl)oxacyclopentadeca-8-12-dien-2-one|Amphidinolide J
2-oxo-3,13E-clerodadien-15-yl-methyl malonic acid diester
2-[6-methyl-6-[2-(1,1,3,6-tetramethyl-4a,7,8,8a-tetrahydro-4H-naphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid
2-Ac-(2beta,3alpha,4beta,5beta)-2,3,4-Trihydroxypregn-16-en-20-one|3alpha,4beta-Dihydroxy-2beta-acetoxy-5beta-pregn-16-en-20-on
14,15-diacetoxy-7,13(16)-labdadiene|Di-Ac-7,13(16)-form-Labdadiene-14,15-diol
12-Benzoylabieta-8,11,13-trien; Ferruginol benzoate|Benzoesaeure-(13-isopropyl-podocarpatrien-(C)-yl-(12)-ester)|benzoic acid-(13-isopropyl-podocarpatrien-(C)-yl-(12)-ester)|ferruginol benzoate|Ferruginolbenzoat|ferruginyl benzoate|Ferruginyl-benzoat
3beta,7alpha-Dihydroxy-24-carboxychol-5-en|3beta,7alpha-Dihydroxychol-5-en-saeure|3beta,7alpha-Dihydroxychol-5-ensaeure
7-Acetoxy-3-oxo-4(3鈥樏傗垎2)-abeo-2(4),13-clerodadien-15-oic acid methyl ester
3-epipseurata B acetonide|3beta,7alpha,12alpha,14beta-tetrahydroxy-ent-kaur-16-en-15-one 7,14-acetonide|pharicunin K
(-)-16-ethoxycleroda-3,13-dien-16,15-olide-18-oic acid, methyl ester
(2R,4R,6R)-4-hydroxy-2-undecyl-1,7-dioxadispiro[5.1.5.2]pentadeca-9,12-dien-11-one|2R,4R,6R-4-hydroxy-2-undecyl-1,7-dioxadispiro[5.1.5.2]pentadec-9,12-dien-11-one|aculeatin F
methyl 3-oxo-18-acetoxylabda-8(17),13E-dien-15-oate
phthalic acid bis(2,5-dimethylhexyl) ester|phthalic acid bis-(2,5-dimethylhexyl)ester
1beta,3beta,14-Trihydroxy-5beta,14beta-card-20(22)-enolid|1beta,3beta,14-trihydroxy-5beta,14beta-card-20(22)-enolide|acovenosigenin A|acovenosigenin-A
6E-Isomer,4-deacetoxy-Asbestinin 2|Butanoyl-(6E,11beta)-2,9:3,16-Diepoxy-6-asbestinen-11-ol
2-hydroxy-6-(16-hydroxy-8-heptadecenyl)benzoic acid
5-ethyl-6-[3-ethyl-5-((Z)-pent-1-enyl)-5,6-dihydro-4H-pyran-2-ylperoxy]-3-[(Z)-pent-1-enyl]-3,4-dihydro-2H-pyran
(13E)-labd-7,13-diene-15-yl methyl malonic acid diester
2beta,3alpha-Dihydroxy-4beta-acetoxy-5beta-pregn-16-en-20-on|4-Ac-(2beta,3alpha,4beta,5beta)-2,3,4-Trihydroxypregn-16-en-20-one
(+)-Antroquinonol;(4R,5R,6R)-(+)-Antroquinonol;Antroquinonol
2-methoxy-4-hydroxy-6-(8Z-pentadecenyl)benzene-1-O-acetate|4-hydroxy-2-methoxy-6-[(8Z)-pentadec-8-en-1-yl]phenyl acetate
(1S*,7aS*,3aR*)-5,13-dimethyl-1-octanoyl-6-(2-oxopentyl)-3a,7a-dihydro-3H,4H-benzofuran-2,4-dione|purpureusone
(Z)-4-hydroxy-2-methoxy-6-(pentadec-10-en-1-yl)phenyl acetate|1-O-methyl-6-acetoxy-5-(pentadec-10Z-enyl)resorcinol
Bis[6-(3,4,7-trihydroxy-3,7-dimethyloctenyl)] ether
7-Acetoxy-2-oxo-3,13-clerodadien-15-oic acid methyl ester
8,9-Didehydro,5-Me ether-3-heptadecyl-2,5-dihydroxybenzoquinone
3alpha.12alpha-Dihydroxy-5beta-Delta7-cholensaeure
2-methyl-6-[(3aS,7S,9aR)-3,3a,5,6,7,8,9,9a-octahydro-7-hydroxy-3a-methyl-8-oxocyclopenta[b]chromen-1-yl]heptyl acetate|TCA D
17-hydroxy-10,11-dihydrocentipedic acid methyl ester acetate
12beta,16alpha-diacetoxy-14beta,15-cyclopimarane|mimosol D
irciformonin H|rel-(5R)-5-[(1S,4E,8E)-11-(furan-3-yl)-1-hydroxy-6-methoxy-4,8-dimethylundeca-4,8-dien-1-yl]dihydro-5-methylfuran-2(3H)-one
2alpha,3beta,14-Trihydroxy-5alpha,14beta-card-20(22)-enolid|2alpha,3beta,14-trihydroxy-5alpha,14beta-card-20(22)-enolide|gomophogenin|Gomphogenin
3-Ac-(3alpha,5beta)-3,21-Dihydroxypregnane-11,20-dione
O-L-Rhamnoside-(E)-1,9-Heptadecadiene-11,13-diyn-8-ol
4(18),12-Clerodadiene-15,16-diol-(ent-13Z)-Di-Ac|isolinaridiol diacetate|Z-isolinaridiol diacetate
16-isobutyryloxy-ent-labda-8(17),13Z-dien-15-oic acid
13-Benzoyloxy-14-isopropyl-podocarpa-8,11,13-trien|13-benzoyloxy-14-isopropyl-podocarpa-8,11,13-triene|totarol benzoate|Totarol-benzoat
ent-3,13E-clerodadien-15-yl-methyl malonic acid diester
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Digoxigenin
Digoxigenin is a hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. It has a role as a hapten and a plant metabolite. It is a 3beta-sterol, a 12beta-hydroxy steroid, a 3beta-hydroxy steroid and a 14beta-hydroxy steroid. It is a conjugate acid of a digoxigenin(1-). It derives from a hydride of a 5beta-cardanolide. Digoxigenin is a cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh. Digoxigenin is a natural product found in Digitalis purpurea with data available. 3 beta,12 beta,14-Trihydroxy-5 beta-card-20(22)-enolide. A cardenolide which is the aglycon of digoxin. Can be obtained by hydrolysis of digoxin or from Digitalis orientalis L. and Digitalis lanata Ehrh. A hydroxy steroid that consists of 5beta-cardanolide having a double bond at the 20(22)-position as well as hydroxy groups at the 3beta-, 12beta- and 14beta-positions. It has been isolated from the plant species of the genus Digitalis. D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides relative retention time with respect to 9-anthracene Carboxylic Acid is 0.850 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.847 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.848
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
MLS000563101-01![(2S,3S,5S,8R,9S,10S,13S,14S)-2-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Mevastatin
Mevastatin is a carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. It has a role as a fungal metabolite, an EC 3.4.24.83 (anthrax lethal factor endopeptidase) inhibitor, an antifungal agent, a Penicillium metabolite and an apoptosis inducer. It is a carboxylic ester, a statin (naturally occurring), a member of hexahydronaphthalenes, a member of 2-pyranones and a polyketide. Mevastatin (Compactin) is a first HMG-CoA reductase inhibitor that belongs to the statins class. Mevastatin is a lipid-lowering agent, and induces apoptosis, arrests cancer cells in G0/G1 phase. Mevastatin also increases endothelial nitric oxide synthase (eNOS) mRNA and protein levels. Mevastatin has antitumor activity and has the potential for cardiovascular diseases treatment. Mevastatin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=73573-88-3 (retrieved 2024-10-09) (CAS RN: 73573-88-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
DEHP
D010968 - Plasticizers Di(2-ethylhexyl) phthlate (DEHP) is a manufactured chemical that is commonly added to plastics to make them flexible. DEHP is a colorless liquid with almost no odor. DEHP is present in plastic products such as wall coverings, tablecloths, floor tiles, furniture upholstery, shower curtains, garden hoses, swimming pool liners, rainwear, baby pants, dolls, some toys, shoes, automobile upholstery and tops, packaging film and sheets, sheathing for wire and cable, medical tubing, and blood storage bags.
Nutriacholic acid
7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
5?-Cholanic Acid-3?-ol-6-one
CONFIDENCE standard compound; INTERNAL_ID 79
7-Ketolithocholic acid
D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 80 7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
12-Ketolithocholic acid
D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids CONFIDENCE standard compound; INTERNAL_ID 81 12-Ketodeoxycholic acid (12-Ketolithocholic acid) is a bile acid, metabolite from kidney. 12-Ketodeoxycholic acid can be a detectable marker for evidence of kidney injury[1]
Bis(2-ethylhexyl)phthalate
DEHP (Bis(2-ethylhexyl) phthalate) is an endogenous metabolite. DEHP (Bis(2-ethylhexyl) phthalate) is an endogenous metabolite.
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
(4R)-4-((5S,7R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pent-2-enoic acid
(R)-4-((3R,5R,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-6-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
(4R)-4-((3S,5R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)-
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5a,6a)-
Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5a,6a)-
Nutriacholate
7-Ketolithocholic acid (3α-Hydroxy-7-oxo-5β-cholanic acid), a bile acid, can be absorbed and suppresses endogenous bile acid production and biliary cholesterol secretion[1][2].
15-deoxy-Δ12,14-Prostaglandin J2-2-glycerol ester
5-trans Latanoprost(free acid)
Treprostinil
B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AC - Platelet aggregation inhibitors excl. heparin C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents C78568 - Prostaglandin Analogue
3alpha,7alpha-Dihydroxy-5beta-chol-16-en-24-oic Acid
Annoglabasin A
Farfaratin
Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2]. Tussilagone, a major active component in Tussilago farfara, has anti-inflammatory effect. Tussilagone ameliorates inflammatory responses in dextran sulphate sodium-induced murine colitis. Tussilagone inhibits the inflammatory response and improves survival in cecal ligation and puncture (CLP)-induced septic mice[1][2].
bhas#24
An (omega-1)-hydroxy fatty acid ascaroside that is ascr#24 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
bhos#24
An omega-hydroxy fatty acid ascaroside that is oscr#24 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.
Gitoxigenin
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides
ST 24:2;O4
A dihydroxy-5beta-cholanic acid that is deoxycholic acid with a double bond at position 6. D005765 - Gastrointestinal Agents > D001647 - Bile Acids and Salts D005765 - Gastrointestinal Agents > D002793 - Cholic Acids
1-[4,5-DIPHENYLPYRAZOL-1-YL]-N-(DIETHYLAMINOPROPYL)-ACETAMIDE
2-N-BOC-AMINO-6-ETHOXYCARBONYL-4-BORONIC ACID PINACOL ESTER
Urea, N-cyclopentyl-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-N-(phenylmethyl)- (9CI)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-[4-(1-methylethyl)phenyl]- (9CI)
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-(2,6-dimethylphenyl)- (9CI)
Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)magnesium dihydrate
2-(4-Boc-piperazino)pyrimidine-5-boronic acid pinacol ester
2-(Dicyclohexylphosphino)-1,1-diphenyl-1-propene,Dicyclohexyl(1-methyl-2,2-diphenylvinyl)phosphine
Card-20 (22)-enolide, 3,14,19-trihydroxy-, (3.beta.,5.alpha.)-
Decanoic acid 2,3-bis[(trimethylsilyl)oxy]propyl ester
(4S,4S)-2,2-(Pentane-3,3-diyl)bis(4-benzyl-4,5-dihydrooxazole)
Antroquinonol
An enone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 4, methoxy groups at positions 2 and 3, a methyl group at position 6 and a (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl group at position 5 (the 4R,5R,6R stereoisomer). It is isolated from the solid-state fermented mycelium of the fungus Antrodia camphorata and has been found to exhibit potent cytotoxicity against a number of human cancer cell lines. However, a synthesis-enabled biological re-examination published in 2016, revealed minimal in vitro and in vivo antitumour activity in preclinical models. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C471 - Enzyme Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
8-[2-(4-Hydroxy-6-oxotetrahydro-2h-pyran-2-yl)ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate
alfadolone acetate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D018377 - Neurotransmitter Agents > D000081227 - Neurosteroids
sarmentogenin
A member of the class of cardenolides that is 5beta-card-20(22)-enolide which is substituted by hydroxy groups at the 3beta, 11alpha, and 14beta positions.
(3R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytetradecanoic acid
(3R,13R)-13-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxytetradecanoic acid
Dinopol NOP
D010968 - Plasticizers
8H-Purin-8-one, 6-amino-7,9-dihydro-2-((1S)-1-methylbutoxy)-9-(5-(1-piperidinyl)pentyl)-
N-stearoyltaurine(1-)
A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-stearoyltaurine; major species at pH 7.3.
(3E,5E,7E,9E)-1-(4-Hydroxy-phenyl)-4,8-dimethyl-10-(2,6,6-trimethyl-cyclohex-1-enyl)-deca-3,5,7,9-tetraen-2-one
4-hydroxy-2,3-dimethoxy-6-methyl-5-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohex-2-en-1-one
[3-Carboxy-2-(11-carboxy-4-hydroxyundecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(11-carboxy-10-hydroxyundecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(11-carboxy-5-hydroxyundecanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(11-carboxy-6-hydroxyundecanoyl)oxypropyl]-trimethylazanium
Etiocholanolone hemisuccinate
A sterol ester that is the O-succinoyl derivative of etiocholanolone.
15-deoxy-Delta(12,14)-prostaglandin J2-2-glyceryl ester
3-[(11R)-3,11,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
(2S)-2-methylbutanoic acid [(1S,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-2-oxanyl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] ester
[(8R,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9R,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8R,9S,10R)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[(8S,9R,10S)-9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-6-methyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
[2-[(3R,5S,8R,9R,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate
(3S,5R,8R,9S,10S,12R,13S,14S,17R)-17-(5-hydroxyfuran-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,12,14-triol
[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents D004791 - Enzyme Inhibitors > D019161 - Hydroxymethylglutaryl-CoA Reductase Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents D000890 - Anti-Infective Agents > D000935 - Antifungal Agents D009676 - Noxae > D000963 - Antimetabolites
[(2S,3S,5S,8R,9S,10S,13S,14S)-2-acetyloxy-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
[3-carboxy-2-[(5E,7Z,9Z,11E,13E)-hexadeca-5,7,9,11,13-pentaenoyl]oxypropyl]-trimethylazanium
(1-acetyloxy-3-hydroxypropan-2-yl) (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-Carboxy-3-(2-hexanoyloxy-3-propanoyloxypropoxy)propyl]-trimethylazanium
[3-(3-Butanoyloxy-2-pentanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
[3-(3-Acetyloxy-2-heptanoyloxypropoxy)-1-carboxypropyl]-trimethylazanium
15-deoxy-delta12,14-Prostaglandin J2-2-glycerol ester
(3alpha,5beta,12beta)-3,12,14-Trihydroxycard-20(22)-enolide
N-arachidonoyl-L-serine(1-)
A N-(fatty acyl)-L-serine(1-) that is the conjugate base of N-arachidonoyl-L-serine, resulting from the derotonation of the carboxy group. Major species at pH 7.3.
2-[(2e)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxy-4,4-dimethoxy-6-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one
(1r,4s,6s,7r,8r,9e,13r,17r)-8-hydroxy-4,6,10-trimethyl-11-methylidene-17-propyl-14,18-dioxatricyclo[11.2.2.1⁴,⁷]octadec-9-ene-15,16-dione
3,5-dihydroxy-2-(8-hydroxy-4,8-dimethylnon-3-en-1-yl)-2,7-dimethyl-3,4-dihydro-1-benzopyran-8-carbaldehyde
3,3'-bis[2-(dimethylamino)ethyl]-1'h-[1,4'-biindol]-5'-ol
(1s,3r,3as,7z,7as)-3-(acetyloxy)-7-ethylidene-6-[(1r)-1,3,3-trimethylcyclohexyl]-3,3a,4,7a-tetrahydro-1h-2-benzofuran-1-yl acetate
4-[(1s,3as,3br,5as,7s,9ar,9bs,11ar)-3a,5a,7-trihydroxy-9a,11a-dimethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-5h-furan-2-one
(3r,3ar,7as)-6,7a-dimethyl-3-octanoyl-5-(2-oxopentyl)-3a,4-dihydro-3h-1-benzofuran-2,7-dione
methyl (2e,6e)-2-[(4s)-5-(acetyloxy)-4-methylpentyl]-9-(furan-3-yl)-6-methylnona-2,6-dienoate
2,4-dihydroxy-3-(7-hydroxy-3,7,11-trimethyldodeca-2,10-dien-1-yl)-6-methylbenzoic acid
(2r,3s)-3,5-dihydroxy-2-[(3e)-8-hydroxy-4,8-dimethylnon-3-en-1-yl]-2,7-dimethyl-3,4-dihydro-1-benzopyran-8-carbaldehyde
1-(2e)-5-[(1r,4ar,8ar)-1,4a,5-trimethyl-7-oxo-3,4,8,8a-tetrahydro-2h-naphthalen-1-yl]-3-methylpent-2-en-1-yl 3-methyl propanedioate
[(1r,2s,4s,5s,9r,10s,13r)-2-(acetyloxy)-5,9-dimethyl-14-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-5-yl]methyl acetate
(3ar,3bs,5as,6r,7r,8s,9ar,9br,11as)-1-acetyl-7,8-dihydroxy-9a,11a-dimethyl-3h,3ah,3bh,4h,5h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-6-yl acetate
methyl (2z)-5-[(1r,4ar,8as)-2,5,5,8a-tetramethyl-4-oxo-4a,6,7,8-tetrahydro-1h-naphthalen-1-yl]-3-[(acetyloxy)methyl]pent-2-enoate
(2e)-3-(4-{[(2e)-6-ethoxy-3,7-dimethylocta-2,7-dien-1-yl]oxy}-3,5-dimethoxyphenyl)prop-2-en-1-ol
methyl (1r,2s,5e)-2-[(2z,4e)-1-(acetyloxy)-6-hydroxy-6-methylhepta-2,4-dien-2-yl]-5-methyl-9-methylidenecyclonon-5-ene-1-carboxylate
(1r,3r,5r,6r,9r,11s,15r)-3,15-dihydroxy-8-methyl-9-[(1e)-non-1-en-1-yl]-10,13-dioxatetracyclo[9.2.2.0¹,⁵.0⁶,¹¹]pentadec-7-en-12-one
12,17-dihydroxy-8,10,14-trimethyl-5-oxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁴,¹⁹]henicosane-6,20-dione
(2s,3r,4s)-3-hydroxy-4-methyl-2-(11'-piperonyl-n-undecyl)-butanolide
{"Ingredient_id": "HBIN006644","Ingredient_name": "(2s,3r,4s)-3-hydroxy-4-methyl-2-(11'-piperonyl-n-undecyl)-butanolide","Alias": "NA","Ingredient_formula": "C23H34O5","Ingredient_Smile": "CC1C(C(C(=O)O1)CCCCCCCCCCCC2=CC3=C(C=C2)OCO3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10515","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-acetoxy-2-oxo-3,13-clerodadien-15-oicacidmethyl ester
{"Ingredient_id": "HBIN013016","Ingredient_name": "7-acetoxy-2-oxo-3,13-clerodadien-15-oicacidmethyl ester","Alias": "NA","Ingredient_formula": "C23H34O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "269","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-acetoxy-3-oxo-4(3→2)-abeo-2(4),13-cleroda-dien-15-oicacid methyl ester
{"Ingredient_id": "HBIN013017","Ingredient_name": "7-acetoxy-3-oxo-4(3\u21922)-abeo-2(4),13-cleroda-dien-15-oicacid methyl ester","Alias": "NA","Ingredient_formula": "C23H34O5","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "268","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
