Exact Mass: 466.2726
Exact Mass Matches: 466.2726
Found 500 metabolites which its exact mass value is equals to given mass value 466.2726
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cephaeline
Cephaeline is a pyridoisoquinoline comprising emetam having a hydroxy group at the 6-position and methoxy substituents at the 7-, 10- and 11-positions. It derives from a hydride of an emetan. Cephaeline is a natural product found in Dorstenia psilurus, Pogonopus tubulosus, and other organisms with data available. Cephaeline is an alkaloid compound that belongs to the isoquinoline alkaloid family. It is naturally found in certain plant species, particularly those of the Cephalotaxus genus, which includes trees and shrubs native to East Asia and the Himalayas. Cephaeline is known for its pharmacological properties and has been the subject of various studies for its potential therapeutic applications. Chemically, cephaeline has a complex structure characterized by an isoquinoline core with additional functional groups attached. It is classified as a monoterpenoid indole alkaloid, reflecting its biosynthetic origin from the amino acid tryptophan. The presence of these functional groups contributes to its biological activity and pharmacological effects. In terms of its physical properties, cephaeline is typically a crystalline solid with a defined melting point. It is slightly soluble in water but more soluble in organic solvents, which is common for alkaloids of its class. The exact color and solubility characteristics can vary depending on the presence of impurities or derivatives. Cephaeline has been of interest in the field of pharmacognosy and drug discovery due to its potential therapeutic effects, including anti-cancer, anti-inflammatory, and neuroprotective properties. However, further research is needed to fully understand its mechanisms of action and potential uses in medicine. Annotation level-1 (-)-Cephaeline. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=483-17-0 (retrieved 2024-07-12) (CAS RN: 483-17-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Androsterone glucuronide
Androsterone glucuronide (ADT-G) is one of the major circulating C19-steroid metabolites in humans. Human and monkey are unique in having high levels of circulating ADT-G. Furthermore, the plasma levels of these glucuronide derivatives reflect the peripheral tissue conversion of adrenal and gonadal precursor C19-steroids to active androgens in various pathophysiological conditions. Identification and characterization of human UDP-glucuronosyltransferase 2B (UGT2Bs) demonstrated the major role that these enzymes play in androgen conjugation, with UGT2B15 and UGT2B17 (EC 2.4.1.17) being the major androsterone-conjugating isoforms. Exaggerated androsterone metabolism, is observed in hyper-androgenic as well as in some normo-androgenic women with acne and androsterone glucuronide could be a marker in differentiating acne and hirsutism in hyperandrogenic women. Present data shows that the most practical and probably only valid means of assessing androgenic activity in women is to measure ADT-G, the metabolite that accounts for 93\\% of the total androgen glucuronide derivatives. (PMID: 12943709, 12445184, 16621522) [HMDB] Androsterone glucuronide (ADT-G) is one of the major circulating C19-steroid metabolites in humans. Human and monkey are unique in having high levels of circulating ADT-G. Furthermore, the plasma levels of these glucuronide derivatives reflect the peripheral tissue conversion of adrenal and gonadal precursor C19-steroids to active androgens in various pathophysiological conditions. Identification and characterization of human UDP-glucuronosyltransferase 2B (UGT2Bs) demonstrated the major role that these enzymes play in androgen conjugation, with UGT2B15 and UGT2B17 (EC 2.4.1.17) being the major androsterone-conjugating isoforms. Exaggerated androsterone metabolism, is observed in hyper-androgenic as well as in some normo-androgenic women with acne and androsterone glucuronide could be a marker in differentiating acne and hirsutism in hyperandrogenic women. Present data shows that the most practical and probably only valid means of assessing androgenic activity in women is to measure ADT-G, the metabolite that accounts for 93\\% of the total androgen glucuronide derivatives. (PMID: 12943709, 12445184, 16621522). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
5β-Androstan-3α-ol-17-One Glucosiduronate
Etiocholanolone glucuronide is a natural human metabolite of etiocholanolone generated in the liver by UDP glucuonyltransferase. Etiocholanolone (or 5-isoandrosterone) is a metabolite of testosterone. Classified a ketosteroid, it causes fever, immunostimulation and leukocytosis. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. [HMDB] Etiocholanolone glucuronide is a natural human metabolite of etiocholanolone generated in the liver by UDP glucuonyltransferase. Etiocholanolone (or 5-isoandrosterone) is a metabolite of testosterone. Classified a ketosteroid, it causes fever, immunostimulation and leukocytosis. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. Etiocholanolone glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3602-09-3 (retrieved 2024-06-29) (CAS RN: 3602-09-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
5-alpha-Dihydrotestosterone glucuronide
5-alpha-Dihydrotestosterone glucuronide is a natural human metabolite of 5alpha-Dihydrotestosterone generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 5-alpha-Dihydrotestosterone glucuronide is a natural human metabolite of 5alpha-Dihydrotestosterone generated in the liver by UDP glucuonyltransferase. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide is a natural human metabolite of 3-alpha-hydroxy-5-alpha-androstane-17-one generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
1-eicosanoyl-glycero-3-phosphate
1-eicosanoyl-glycero-3-phosphate is also known as LPA(20:0/0:0). 1-eicosanoyl-glycero-3-phosphate is considered to be practically insoluble (in water) and acidic. 1-eicosanoyl-glycero-3-phosphate is a glycerophosphate lipid molecule
LysoPA(i-20:0/0:0)
LysoPA(i-20:0/0:0) is a lysophosphatidic acid. It is a glycerophospholipid in which a phosphate moiety occupies a glycerol substitution site. Lysophosphatidic acids can have different combinations of fatty acids of varying lengths and saturation attached at the C-1 (sn-1) or C-2 (sn-2) position. Fatty acids containing 16 and 18 carbons are the most common. LysoPA(i-20:0/0:0), in particular, consists of one chain of isoeicosanoic acid at the C-1 position. Lysophosphatidic acid is the simplest possible glycerophospholipid. It is the biosynthetic precursor of phosphatidic acid. Although it is present at very low levels only in animal tissues, it is extremely important biologically, influencing many biochemical processes.
5alpha-Androstan-17beta-ol-3-one glucosiduronate
Acetildenafil
Cephaeline
Mutant IDH1 inhibitor
DG(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)
DG(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(2:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(2:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
DG(2:0/0:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/2:0)
DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0/2:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
(-)-5alpha-(12-Cytisinylmethyl)-6alpha-hydroxylupanine
N-(12-Amino-4,9-diazadodecan-1-yl)-2-[[(2,4-dihydroxyphenyl)acetyl]amino]succinamide
acetildenafil
D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors > D058986 - Phosphodiesterase 5 Inhibitors D000089162 - Genitourinary Agents > D064804 - Urological Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents
1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N2-methylalaninamide
11-hydroxyusambarine|16-(2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-17-nor-coryn-18-en-11-ol|Usambaridin Br|Usambaridine Br
10-Hydroxyusambarine|16-(2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-17-nor-coryn-18-en-10-ol|18-Dehydro-10-hydroxynigritanin
(11alpha,12alpha)-4-demethyl-11,12-epoxy-3,13-dihydroxy-2-oxoursa-3,20(30)-diene-28-oic acid gamma-lactone|adenanthusone
(1S,2S,3R,4R,6R)-diangeloyloxy-3,4-epoxy-2,10,11-trihydroxybisabol-7(14)-ene|1beta,8-diangeloyloxy-3beta,4beta-epoxy-2beta,10,11-trihydroxybisabol-7(14)-ene
8alpha-hydroxylabda-13(16),14-dien-19-yl (Z)-4-hydroxycinnamate
2,22beta-dihydroxy-3-methoxy-24,29-dinor-1,3,5(10),7-friedelatetraene-6,21-dione
3-methyl-23-hydroxy-6-oxo-tingenol|3-O-methyl-23-hydroxy-6-oxotingenol
16(R)-6alpha,11beta-dihydroxy-17-methoxy-3beta,7beta-diacetoxy-ent-kaur-15-one|xindongnin G
clerodinin A|clerodinin B|lupulin D|O15-De-Et,O15-Methyl,15-Epimer-Clerodinin C
(1R*,2R*,3E,7E,11R*,12S*)-16-O-(3-hydroxy-3-methylglutaryl)-dolabella-3,7-dien-2,16,18-triol
11,12-Di-O-acetyl-marsectohexol|11,12-di-O-acetylmarsectohexol|11.12-Di-O-acetyl-marsectohexol|12-O-acetyllanceogenin
(E)-3,7-dimethyl-1-O-6)-beta-D-glucopyranosyl>-oct-2-en-7-ol
1,6,9-trihydroxy-3-(1-hydroxy-1-methylethyl)-10-isobutyryl-5,5-dimethyl-8-(3-methylbut-2-enyl)-4-oxabicyclo[6.3.1]dodec-9-ene-11,12-dione|garcinielliptone HF
(1beta,2beta,3beta,4beta,6beta)-3,4-epoxybisabol-7(14)-ene-1,2,8,10,11-pentol 2,10-diangelate|(2Z)-2-methylbut-2-enoic acid (1RS,2SR,3SR,4RS,6RS)-4-(2,5-dihydroxy-5-methyl-1-methylene-4-{[(2Z)-2-methyl-1-oxobut-2-en-1-yl]oxy}hexyl)-3-hydroxy-1-methyl-7-oxabicyclo[4.1.0]hept-2-yl ester
4-epi-aubergenone 11-O-2,3-di-O-acetyl-alpha-L-rhamnopyranoside
4-epi-aubergenone 11-O-2,4-di-O-acetyl-alpha-L-rhamnopyranoside
2beta,8-diangeloyloxy-3beta,4beta-epoxy-1beta,10,11-trihydroxybisabol-7(14)-ene
2beta,8-diangeloyloxy-1beta,3beta,4alpha,11-tetrahydroxybisabol-7(14),9-diene
(11S,12S)-4-methyl-11,12-epoxy-2-hydroxy-3-oxoursa-1,4-dine-28-oic acid-gamma-lactone|ulmoidol A
(rel-5S,6R,8R,9R,10S,13S,15R)-6-acetoxy-9,13:15,16-diepoxy-15-methoxylabdane|3alpha,8beta-diacetoxy-9,13;15,16-diepoxy-15beta-methoxylabdan-7-one|leosibirinone A
11-hydroxyusambarine|16-(2-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-17-nor-coryn-18-en-12-ol|Usambaridin Vi
Wilforol A
Wilforol A is a pentacyclic triterpenoid with formula C29H38O5, originally isolated from the stems of Tripterygium regelii. It has a role as a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid, a member of catechols, a cyclic terpene ketone and an enone. Wilforol A is a natural product found in Tripterygium hypoglaucum, Tripterygium wilfordii, and Celastrus orbiculatus with data available. A pentacyclic triterpenoid with formula C29H38O5, originally isolated from the stems of Tripterygium regelii.
5??,6??-Epoxy-4??-hydroxy-1-oxo-witha-2,16,24-trienolide
(2S)-OMPT
C23H38N4O6_1-[(2E,4E)-6,7-Dihydroxy-2,4-octadienoyl]prolyl-N-methylvalyl-N~2~-methylalaninamide
Ala Ile Thr Tyr
Ala Ile Tyr Thr
Ala Leu Thr Tyr
Ala Leu Tyr Thr
Ala Thr Ile Tyr
Ala Thr Leu Tyr
Ala Thr Tyr Ile
Ala Thr Tyr Leu
Ala Tyr Ile Thr
Ala Tyr Leu Thr
Ala Tyr Thr Ile
Ala Tyr Thr Leu
Phe Ile Ser Thr
Phe Ile Thr Ser
Phe Leu Ser Thr
Phe Leu Thr Ser
Phe Ser Ile Thr
Phe Ser Leu Thr
Phe Ser Thr Ile
Phe Ser Thr Leu
Phe Thr Ile Ser
Phe Thr Leu Ser
Phe Thr Ser Ile
Phe Thr Ser Leu
Phe Thr Thr Val
Phe Thr Val Thr
Phe Val Thr Thr
His Ile Pro Thr
His Ile Thr Pro
His Ile Val Val
His Leu Pro Thr
His Leu Thr Pro
His Leu Val Val
His Pro Ile Thr
His Pro Leu Thr
His Pro Thr Ile
His Pro Thr Leu
His Thr Ile Pro
His Thr Leu Pro
His Thr Pro Ile
His Thr Pro Leu
His Val Ile Val
His Val Leu Val
His Val Val Ile
His Val Val Leu
Ile Ala Thr Tyr
Ile Ala Tyr Thr
Ile Phe Ser Thr
Ile Phe Thr Ser
Ile His Pro Thr
Ile His Thr Pro
Ile His Val Val
Ile Pro His Thr
Ile Pro Thr His
Ile Ser Phe Thr
Ile Ser Thr Phe
Ile Thr Ala Tyr
Ile Thr Phe Ser
Ile Thr His Pro
Ile Thr Pro His
Ile Thr Ser Phe
Ile Thr Tyr Ala
Ile Val His Val
Ile Val Val His
Ile Tyr Ala Thr
Ile Tyr Thr Ala
Leu Ala Thr Tyr
Leu Ala Tyr Thr
Leu Phe Ser Thr
Leu Phe Thr Ser
Leu His Pro Thr
Leu His Thr Pro
Leu His Val Val
Leu Pro His Thr
Leu Pro Thr His
Leu Ser Phe Thr
Leu Ser Thr Phe
Leu Thr Ala Tyr
Leu Thr Phe Ser
Leu Thr His Pro
Leu Thr Pro His
Leu Thr Ser Phe
Leu Thr Tyr Ala
Leu Val His Val
Leu Val Val His
Leu Tyr Ala Thr
Leu Tyr Thr Ala
Pro His Ile Thr
Pro His Leu Thr
Pro His Thr Ile
Pro His Thr Leu
Pro Ile His Thr
Pro Ile Thr His
Pro Leu His Thr
Pro Leu Thr His
Pro Thr His Ile
Pro Thr His Leu
Pro Thr Ile His
Pro Thr Leu His
Ser Phe Ile Thr
Ser Phe Leu Thr
Ser Phe Thr Ile
Ser Phe Thr Leu
Ser Ile Phe Thr
Ser Ile Thr Phe
Ser Leu Phe Thr
Ser Leu Thr Phe
Ser Thr Phe Ile
Ser Thr Phe Leu
Ser Thr Ile Phe
Ser Thr Leu Phe
Ser Val Val Tyr
Ser Val Tyr Val
Ser Tyr Val Val
Thr Ala Ile Tyr
Thr Ala Leu Tyr
Thr Ala Tyr Ile
Thr Ala Tyr Leu
Thr Phe Ile Ser
Thr Phe Leu Ser
Thr Phe Ser Ile
Thr Phe Ser Leu
Thr Phe Thr Val
Thr Phe Val Thr
Thr His Ile Pro
Thr His Leu Pro
Thr His Pro Ile
Thr His Pro Leu
Thr Ile Ala Tyr
Thr Ile Phe Ser
Thr Ile His Pro
Thr Ile Pro His
Thr Ile Ser Phe
Thr Ile Tyr Ala
Thr Leu Ala Tyr
Thr Leu Phe Ser
Thr Leu His Pro
Thr Leu Pro His
Thr Leu Ser Phe
Thr Leu Tyr Ala
Thr Pro His Ile
Thr Pro His Leu
Thr Pro Ile His
Thr Pro Leu His
Thr Ser Phe Ile
Thr Ser Phe Leu
Thr Ser Ile Phe
Thr Ser Leu Phe
Thr Thr Phe Val
Thr Thr Val Phe
Thr Val Phe Thr
Thr Val Thr Phe
Thr Tyr Ala Ile
Thr Tyr Ala Leu
Thr Tyr Ile Ala
Thr Tyr Leu Ala
Val Phe Thr Thr
Val His Ile Val
Val His Leu Val
Val His Val Ile
Val His Val Leu
Val Ile His Val
Val Ile Val His
Val Leu His Val
Val Leu Val His
Val Ser Val Tyr
Val Ser Tyr Val
Val Thr Phe Thr
Val Thr Thr Phe
Val Val His Ile
Val Val His Leu
Val Val Ile His
Val Val Leu His
Val Val Ser Tyr
Val Val Tyr Ser
Val Tyr Ser Val
Val Tyr Val Ser
Tyr Ala Ile Thr
Tyr Ala Leu Thr
Tyr Ala Thr Ile
Tyr Ala Thr Leu
Tyr Ile Ala Thr
Tyr Ile Thr Ala
Tyr Leu Ala Thr
Tyr Leu Thr Ala
Tyr Ser Val Val
Tyr Thr Ala Ile
Tyr Thr Ala Leu
Tyr Thr Ile Ala
Tyr Thr Leu Ala
Tyr Val Ser Val
Tyr Val Val Ser
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2 / (24RS)-28,28,28-trifluoro-25-hydroxyergocalciferol
(5Z,7E)-(1S,3R)-24-(dimethoxyphosphoryl)-9,10-seco-5,7,10(19)-cholatriene-1,3-diol
5-alpha-Dihydrotestosterone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3alpha-Hydroxy-5alpha-androstane-17-one 3-D-glucuronoside
3alpha-hydroxy-5alpha-androstane-17-one 3-D-glucuronide
glas#10
An ascarosyloxycarboxylic acid beta-D-glucopyranosyl ester resulting from the formal esterification of the carboxy group of ascr#10 with the anomeric hydroxy group of beta-D-glucopyranose. It is a metabolite of the nematode Caenorhabditis elegans.
(24RS)-28,28,28-trifluoro-25-hydroxyvitamin D2
1alpha-hydroxy-24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3
ST 19:1;O2;GlcA
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
butyl prop-2-enoate,2-methylprop-2-enoic acid,propane-1,2-diol,prop-2-enoic acid,styrene
Trefentanil
C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
3,3-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid, pinacol ester
N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
1-O-{(8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoyl}-beta-D-glucopyranose
[[Cyclohexanesulfonyl-glycyl]-3[pyridin-4-YL-aminomethyl]alanyl]piperidine
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide is a natural human metabolite of 3-alpha-hydroxy-5-alpha-androstane-17-one generated in the liver by UDP glucuonyltransferase. Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys. 3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide is a natural human metabolite of 3-alpha-hydroxy-5-alpha-androstane-17-one generated in the liver by UDP glucuonyltransferase.
5alpha-Androstan-17beta-ol-3-one glucosiduronate
2-[hydroxy-[(2R)-2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Etiocholanolone 3-glucuronide
A steroid glucosiduronic acid having etiocholanolone as the steroid component.
(2S,3R,12bS)-3-ethenyl-2-[[(1R)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol
N-(1-Cyclohexylcarbamoyl-cyclopentyl)-N-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
(2R)-2-[(4S,5S)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
Glucosyl-6beta-hydroxytestosterone
A steroid saponin that is 6beta-hydroxytestosterone attached to a alpha-D-glucopyranosyl residue at position 6 via glycosidic linkage.
Methyl N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-L-leucinate
3,5,7-Trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
(2S)-2-[(4R,5R)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
(2S)-2-[(4S,5R)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
(2R)-2-[(4S,5R)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
(2R)-2-[(4R,5R)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
(2R)-2-[(4R,5S)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
(2S)-2-[(4S,5S)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
(2S)-2-[(4R,5S)-4-methyl-5-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1lambda6,2-benzoxathiazocin-2-yl]propan-1-ol
(2S,3R,12bS)-3-ethenyl-2-[[(1R)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-9-ol
(1-Nonanoyloxy-3-phosphonooxypropan-2-yl) decanoate
2,3-dihydroxypropyl [3-[(9Z,12Z)-hexadeca-9,12-dienoxy]-2-hydroxypropyl] hydrogen phosphate
(1-Phosphonooxy-3-propanoyloxypropan-2-yl) hexadecanoate
(1-Acetyloxy-3-phosphonooxypropan-2-yl) heptadecanoate
(1-Butanoyloxy-3-phosphonooxypropan-2-yl) pentadecanoate
(1-Octanoyloxy-3-phosphonooxypropan-2-yl) undecanoate
(1-Hexanoyloxy-3-phosphonooxypropan-2-yl) tridecanoate
(1-Heptanoyloxy-3-phosphonooxypropan-2-yl) dodecanoate
(1-Pentanoyloxy-3-phosphonooxypropan-2-yl) tetradecanoate
7-Tert-butyl-7-(2,4,6-triisopropylphenyl)-2,3,5,6-dibenzo-7-silanorbornadiene
2-[hydroxy-[(2R)-2-hydroxy-3-[(E)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
N-[(E,4Z,7R)-4-(chloromethylidene)-10-[3-methoxy-2-(2-methylpropyl)-5-oxo-2H-pyrrol-1-yl]-7,9-dimethyl-10-oxodec-8-enyl]-N-methylacetamide
2-[hydroxy-[2-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Androsterone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Etiocholanolone glucuronide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide
5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide)
A steroid glucosiduronic acid that is 5alpha-dihydrotestosterone having a single beta-D-glucuronic acid residue attached at position 17.
androsterone 3-glucosiduronic acid
A steroid glucosiduronic acid having androsterone as the steroid component.
3alpha-hydroxy-5beta-androstan-17-one 3-glucosiduronic acid
Mutant IDH1 inhibitor
Mutant IDH1 inhibitor is a potent mutant IDH1 R132H inhibitor with IC50 of < 72 nM.
3-hydroxy-5-{[4-hydroxy-1-(2-hydroxypropan-2-yl)-3a,10-dimethyl-1h,2h,3h,4h,7h,8h,11h,12h,12ah-cyclopenta[11]annulen-6-yl]methoxy}-3-methyl-5-oxopentanoic acid
4-formyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 2-hydroxydecanoate
6-hydroxy-2,6,10-trimethyl-13-(7-methyl-5,8-dioxonaphthalen-2-yl)trideca-2,10-dien-7-yl acetate
(1s,2s,3s,6s,7s,8s,9s,12r)-12-(acetyloxy)-1,9-dihydroxy-6-isopropyl-3,9-dimethyl-13-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl butanoate
(1r,2r,4as,5'r,5''r,6r,8as)-6-(acetyloxy)-5''-methoxy-2,5,5,8a-tetramethyl-3-oxo-tetrahydro-4h-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-2-yl acetate
6-hydroxy-1,4a,6-trimethyl-5-(3-methylidenepent-4-en-1-yl)-hexahydro-2h-naphthalene-1-carbonyl 3-(4-hydroxyphenyl)prop-2-enoate
1-[(1s,2s)-1,2-bis(acetyloxy)-5-oxocyclopent-3-en-1-yl]pentadecyl acetate
methyl 2-(5-hydroxy-2-{[(6e)-3-methyl-7-{[(1r,5r)-3-methyl-5-(2-methylprop-1-en-1-yl)-4-oxocyclopent-2-en-1-yl]methyl}octa-1,6-dien-3-yl]oxy}phenyl)acetate
(3s,3as,6as,9s,10r)-4-formyl-3,9-dihydroxy-7,7-dimethyl-1-oxo-3h,3ah,6h,6ah,8h,9h,10h-naphtho[1,8a-c]furan-10-yl 2-hydroxydecanoate
(1r,2r,2''s,4r,4as,5's,6s,8as)-2''-(acetyloxy)-4-(formyloxy)-2,5,5,8a-tetramethyl-hexahydro-2h-dispiro[naphthalene-1,2':5',3''-bis(oxolane)]-6-yl acetate
(3s,5s)-5,6-dihydroxy-2-[(1r,3r,4s,5s,6s)-5-hydroxy-6-methyl-4-{[(2z)-2-methylbut-2-enoyl]oxy}-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhept-1-en-3-yl (2z)-2-methylbut-2-enoate
14-(acetyloxy)-5,10-dihydroxy-3-isopropyl-10,14-dimethyl-6-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-11-yl butanoate
12-(acetyloxy)-1,9-dihydroxy-6-isopropyl-3,9-dimethyl-13-methylidene-15-oxatricyclo[6.6.1.0²,⁷]pentadecan-3-yl butanoate
(2r,3r,4s,5s,6r)-2-{[(2e)-7-hydroxy-3,7-dimethyloct-2-en-1-yl]oxy}-6-({[(2s,3r,4s,5s)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxane-3,4,5-triol
16-kaurene-2,15-diol; (ent-2α,15β)-form,2-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN001924","Ingredient_name": "16-kaurene-2,15-diol; (ent-2\u03b1,15\u03b2)-form,2-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C26H42O7","Ingredient_Smile": "NA","Ingredient_weight": "466.61","OB_score": "NA","CAS_id": "34336-00-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9266","PubChem_id": "NA","DrugBank_id": "NA"}
4,5,6-tri-o-acetylhygrophorone b14
{"Ingredient_id": "HBIN009980","Ingredient_name": "4,5,6-tri-o-acetylhygrophorone b14","Alias": "NA","Ingredient_formula": "C26H42O7","Ingredient_Smile": "CCCCCCCCCCCCCCC(C1(C(C=CC1=O)OC(=O)C)OC(=O)C)OC(=O)C","Ingredient_weight": "466.6 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21520","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11271282","DrugBank_id": "NA"}