Exact Mass: 378.2112406
Exact Mass Matches: 378.2112406
Found 500 metabolites which its exact mass value is equals to given mass value 378.2112406,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6-beta-hydrocortisol
6-beta-hydrocortisol is a metabolite of hydrocortisone. Cortisol, known more formally as hydrocortisone, is a steroid hormone, more specifically a glucocorticoid, produced by the zona fasciculata of the adrenal cortex. It is released in response to stress and a low level of blood glucocorticoids. Its primary functions are to increase blood sugar through gluconeogenesis; suppress the immune system; and aid in fat, protein and carbohydrate metabolism. It also decreases bone formation. Various synthetic forms of cortisol are used to treat a variety of diseases. (Wikipedia) D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Isoflupredone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Fluprednisolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D005938 - Glucocorticoids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D000893 - Anti-Inflammatory Agents Same as: D04227
Descinolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid
Quassin
doxapram
R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D019141 - Respiratory System Agents
Neotame
Potential high-intensity sweetener, sweetness variously stated to be 40 x sucrose and 7000-13000 x sucrose Neotame is an artificial sweetener made by NutraSweet that is between 7,000 and 13,000 times sweeter than sucrose (table sugar). In the European Union it is known by the E number E961. Neotame is moderately heat stable and extremely potent. Neotame is rapidly metabolized, completely eliminated, and does not accumulate in the body Potential high-intensity sweetener, sweetness variously stated to be 40 x sucrose and 7000-13000 x sucrose
Doxapram
Doxapram is only found in individuals that have used or taken this drug. It is a central respiratory stimulant with a brief duration of action. (From Martindale, The Extra Pharmocopoeia, 30th ed, p1225)Doxapram produces respiratory stimulation mediated through the peripheral carotid chemoreceptors. It is thought to stimulate the carotid body by inhibiting certain potassium channels. R - Respiratory system > R07 - Other respiratory system products > R07A - Other respiratory system products > R07AB - Respiratory stimulants D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant D019141 - Respiratory System Agents
Albafuran B
Antifungal constituent of white mulberry (Morus alba). Albafuran B is found in fruits. Albafuran B is found in fruits. Antifungal constituent of white mulberry (Morus alba
11-Dihydro-12-norneoquassin
11-Dihydro-12-norneoquassin is isolated from Quassia amara (Surinam quassia).
Sugetriol triacetate
Sugetriol triacetate is found in root vegetables. Sugetriol triacetate is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). Sugetriol triacetate is found in root vegetables.
Methyl (9Z)-6'-oxo-6,6'-diapo-6-carotenoate
Methyl (9Z)-6-oxo-6,6-diapo-6-carotenoate is a constituent of Bixa orellana (annatto) Constituent of Bixa orellana (annatto).
Eremopetasitenin C1
Eremopetasitenin C1 is found in green vegetables. Eremopetasitenin C1 is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasitenin C1 is found in green vegetables.
Humulinone
Humulinone is found in alcoholic beverages. Humulinone is a constituent of hops
18-Hydroxycortisol
18-Hydroxycortisol is a derivative of cortIsolated It may be synthesized by zona fasciculata 11-beta hydroxylase in normal human adrenal cortex. (PMID 15356073; 1751390) Overproduction of 18-hydroxycortisol is an aid in the detection of Glucocorticoid-remediable aldosteronism which is an inherited form of mineralocorticoid excess associated with moderate overproduction of aldosterone, in which biochemical and clinical remission is dramatically induced by small amounts of glucocorticoids.(PMID: 1879399) [HMDB] 18-Hydroxycortisol is a derivative of cortIsolated It may be synthesized by zona fasciculata 11-beta hydroxylase in normal human adrenal cortex. (PMID 15356073; 1751390) Overproduction of 18-hydroxycortisol is an aid in the detection of Glucocorticoid-remediable aldosteronism which is an inherited form of mineralocorticoid excess associated with moderate overproduction of aldosterone, in which biochemical and clinical remission is dramatically induced by small amounts of glucocorticoids.(PMID: 1879399). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Pentosidine
C17H26N6O4 (378.20154360000004)
Pentosidine is a carbohydrate-derived advanced glycation end products (AGEs) that is considerably elevated in uremic patients. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821). Derived from ribose, a pentose, pentosidine forms fluorescent cross-links between the arginine and lysine residues in collagen. It is formed in a reaction of the amino acids with the Maillard reaction products of ribose. Although it is present only in trace concentrations among tissue proteins, it is useful for assessing cumulative damage to proteins-advanced glycation endproductsThis compound per se has no biological activities but is highly correlated to the levels of precursors of carbonyl compounds, and for this reason is considered a reliable surrogate marker for AGEs. The modification of proteins in uremia is not limited to AGEs, since advanced lipoxidation end products are also demonstrable in plasma proteins in uremia. The accumulation of these compounds does not seem to be dependent only on the decline of renal function. Carbonyl precursors of AGEs and advanced lipoxidation end products are markedly elevated in uremic patients. Preliminary cross-sectional studies in haemodialysis patients seem to indicate that the AGEs and carbonyl stress may be involved in the pathogenesis of alterations in left ventricular geometry and function in these patients. (PMID 11051031). The plasma pentosidine level in diabetic nephropathy was found to be determined by factors such as renal function control of glucose and the patients age; of these, renal function was the most critical factor. The pathological role of AGEs in diabetic nephropathy, is in the expanded mesangial area of diffuse diabetic glomerulosclerosis, with nodular lesions, characteristic of diabetic nephropathy. These suggests a potential link of AGEs accumulation, which may be determined by renal function, control of glucose and age, to renal tissue damage in diabetic nephropathy. (PMID 9044316). The rate of accumulation of glycoxidation products is accelerated in diabetes and age-adjusted concentrations of two advanced glycation end-products (AGE) in tissue proteins, N(6)-carboxymethyllysine and pentosidine, correlate with the severity of complication in diabetic patients. (PMID 9044306). Pentosidine is a carbohydrate-derived advanced glycation end products (AGEs) that is considerably elevated in uremic patients. Derived from ribose, a pentose, pentosidine forms fluorescent cross-links between the arginine and lysine residues in collagen. It is formed in a reaction of the amino acids with the Maillard reaction products of ribose. Although it is present only in trace concentrations among tissue proteins, it is useful for assessing cumulative damage to proteins-advanced glycation endproductsThis compound per se has no biological activities but is highly correlated to the levels of precursors of carbonyl compounds, and for this reason is considered a reliable surrogate marker for AGEs. The modification of proteins in uremia is not limited to AGEs, since advanced lipoxidation end products are also demonstrable in plasma proteins in uremia. The accumulation of these compounds does not seem to be dependent only on the decline of renal function. Carbonyl precursors of AGEs and advanced lipoxidation end products are markedly elevated in uremic patients. Preliminary cross-sectional studies in haemodialysis patients seem to indicate that the AGEs and carbonyl stress may be involved in the pathogenesis of alterations in left ventricular geometry and function in these patients. (PMID 11051031) D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
Isohumulinone A
Isohumulinone B is found in alcoholic beverages. Isohumulinone B is a bitter principle present in bee
Eremopetasitenin D1
Eremopetasitenin D1 is found in green vegetables. Eremopetasitenin D1 is a constituent of Petasites japonicus (sweet coltsfoot). Constituent of Petasites japonicus (sweet coltsfoot). Eremopetasitenin D1 is found in green vegetables.
4R-Hydroxy solifenacin
C23H26N2O3 (378.19433260000005)
4R-Hydroxy solifenacin is a metabolite of solifenacin. Solifenacin (trade name Vesicare) is a urinary antispasmodic of the antimuscarinic class. It is used in the treatment of overactive bladder with or without urge incontinence. It is manufactured by Astellas and co-marketed by Astellas and GlaxoSmithKline. (Wikipedia)
3-(2-Propylpentanoyl)-5,5-diphenylhydantoin
C23H26N2O3 (378.19433260000005)
6-Hydroxycortisol
9-Fluorocortisone
9-Fluoroprednisolone
Cebranopadol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Cebranopadol is an analgesic NOP and opioid receptor agonist with Kis/EC50s of 0.9 nM/13 nM, 0.7 nM/1.2 nM, 2.6 nM/17 nM, 18 nM/110 nM for human NOP, MOP, KOP and delta-opioid peptide (DOP) receptor, respectively.
(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
Fluprednisolone
hydroxycortisol
3-(2-Aminoethyl)-5-methoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]indol-1-amine
Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)-
(8S,9S,10S,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-2,3-dione
[4aR-[4aalpha,5alpha,6alpha(Z),8aalpha,9abeta]]-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl ester 2-methyl-2-butenoic acid
Cinnamoyloxyisoalloalantolactone
3beta-Angeloyloxy-5alpha-hydroperoxycostic acid methyl ester
8beta-Acetoxy-3beta-propionyloxyisocostic acid methyl ester
Verrol (terpene)
([3aR-[3aalpha,4aalpha,5(Z),8abeta,9aalpha]]-2,3,3a,4,4a,7,8,8a,9,9a-Decahydro-8a-methyl-3-methylene-2-oxonaphtho[2,3-b]furan-5-yl)methyl ester 3-phenyl-2-propenoic acid
11-Dihydro-12-norneoquassin
Pravadoline
C23H26N2O3 (378.19433260000005)
(20S)-6beta,7beta,14beta-trihydroxy-20-methoxy-7,20-epoxy-ent-kaur-16-en-15-one|xerophinoid B
3beta-angeloyloxy-6beta-hydroxy-8beta-methoxyeremophil-7(11)-en-12,8alpha-olide
methyl-3-(3,3-dimethylallyl)-4-(dihydrocinnamoyloxy)-cinnamate|methyl-3-<3,3-dimethylallyl>-4--cinnamate
14beta,15beta-Epoxy-16-oxo-13,14,15,16-tetrahydrohautriwasaeure-methylester
marrusidin B|rel-(2aR,3R,5R,5S,5aR,7S,8aS,8bS)-dodecahydro-5-methoxy-2a,5a,7-trimethyldispiro[furan-3(2H),2(5H)-furan-5,6-[6H]naphtho[1,8-bc]furan]-2,2(2aH)-dione|rel-(6beta,8alpha,13S,15S)-9,13-epoxy-6,15-dihydroxy-15-methoxylabdane-16,19-dioic acid di-gamma-lactone
(11beta,17alphaOH)-11,17,18,21-Tetrahydroxypregn-4-ene-3,20-dione
3-O-<2,3-epoxy-2-methylbutyroyl>-cuauthemon-O-formiate
(1alpha,6R,11alpha,15alpha)-6,20-epoxy-11,15-dihydroxy-6-methoxy-6,7-seco-ent-kaur-16-eno-1(7)-lactone|(5alpha)-13-deoxy-1,O1-dihydro-5-hydroxy-O10-methylenmein|11alpha,15alpha-dihydroxy-6beta-methoxy-6,7-seco-6,20-epoxy-1alpha,7-olide-ent-kaur-16-ene|isojaponin A
15beta-Hydroxy-16-oxo-15,16-dihydrohautriwasaeure-methylester
(+)-miliusane VII|8alpha-methoxy-9beta-acetoxy-1beta-(2,6-dimethylhepta-1,5-dienyl)-2-oxa-spiro[4.5]dec-7-ene-3,6-dione
15alpha,20beta-dihydroxy-6beta-methoxy-6,7-seco-6,20-epoxy-1,7-olide-ent-kaur-16-ene|15alpha,20beta-dihydroxy-6beta-methoxy-6,7-seco-6,20-epoxy-ent-kaur-16-en-1,7-olide
(10E)-10,11-dideoxy-10,11-dehydro-6,19-dihydroalternaric acid
methyl 6alpha,7alpha-dihydroxycleroda-3,13-dien-15,16-olid-18-oate|PC-66-633-2
3,7-dihydroxy-15-(4-hydroxyphenyl)-5-oxo-6-pentadecenoic acid|prepromalabaricone B
18-O-butanedioylpodocarpen-8(14)-en-7alpha-hydroxy-13-one|abiesanordine F
1alpha-angeloyloxy-10beta-hydroxy-8beta-methoxyeremophil-7(11)-en-8,12-olide
1-[1-(2,3-dihydroxy-4-methylphenyl)ethenyl]-3-hydroxy-4-methoxy-4-methylpentyl (2Z)-2-methylbut-2-enoate|9-(angeloyloxy)-11-methoxybisabola-1,3,5,10(15)-tetraene-5,6,7-triol
6??-Angeloyloxy-10??-hydroxy-8??-methoxyeremophil-7(11)-en-12,8??-olide
5,9-dimethoxy-7-(alpha-methyl)-butanoxy-phenyl-2E-propenol-(alpha-methyl)-butanoate
8beta-(cinnamoyloxy)eudesma-4(14),7(11)-dien-12,8-olide
9beta-(3-hydroxy-3-methylpentanoyloxy)parthenolide
2,3,3a,5-tetrahydro-3a-hydroxy-2-(1-hydroxy-1-methylethyl)-5-methyl-5-(3-methylbut-2-enyl)-7-(2-methylpropanoyl)benzofuran-4,6-dione|furonewguinone A
rel-(2aR,3S,5R,5R,7R,8aR)-decahydro-5-methoxy-2,5a,7-trimethyldispiro-[furan-3,2-furan-5,6-naphtho[1,8-bc]furan]-2,3(2aH,4H)-dione|thessaline D
(3R*,3aS*,8aS*)-3-(1-hydroxydecyl)-8a-methyl-3a,4-dihydrobenzo[1,2-b:4,5-c]difuran-2,7,8-(3H,5H,8aH)-trione|annulosquamulin
7-{[(1S,4aR,8aS)-5,5,8a-trimethyl-2-methylene-6-oxo-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]methoxy}-2H-chromen-2-one|fnarthexone
4,6-dihydroxy-2-O-(6-hydroperoxy-3,7-dimethyl-2,7-octadienyl)-1-(2-methylbutanoyl)benzene|olympicin D
7alpha,14beta-dihydroxy-17alpha-methoxymethyl-ent-kaur-3,11,15-trione
7-oxo-16-hydroxy-ent-clerod-3-en-15-oic acid methyl ester-18,19-olide
(2S*,3R*,5R*)-2-(2,3-dihydroxy-4-methylphenyl)-2,3,4,5-tetrahydro-5-(1-methoxy-1-methylethyl)-2-methylfuran-3-yl (2Z)-2-methylbut-2-enoate|9alpha-(angeloyloxy)-7beta,10beta-epoxy-11-methoxybisabola-1,3,5-triene-5,6-diol
2beta,8beta-dihydroxy-3beta-methylsenecioyloxyeremophil-7(11)-en-8alpha(12)-olide
(3S,6R,7R,8R)-3-Hydroxy-8-acetoxysarracenyloxygermacra-1(10),4,11(13)-trien-6,12-olide
N, N-p-Coumaroyl, p-cinnamoylcadaverine
C23H26N2O3 (378.19433260000005)
NEOTAME
CONFIDENCE standard compound; EAWAG_UCHEM_ID 2815
6β-hydroxycortisol
A C21-steroid that is cortisol bearing an additional hydroxy substituent at the 6beta-position. In humans, it is produced as a metabolite of cortisol by cytochrome p450-3A4 (CYP3A4, an important enzyme involved in the metabolism of a variety of exogenous and endogenous compounds) and can be used to detect moderate and potent CYP3A4 inhibition in vivo. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones CONFIDENCE standard compound; INTERNAL_ID 2838 CONFIDENCE Reference Standard (Level 1); NaToxAq - Natural Toxins and Drinking Water Quality - From Source to Tap (https://natoxaq.ku.dk)
Ala Ala Ala Phe
C18H26N4O5 (378.19031060000003)
Ala Ala Phe Ala
C18H26N4O5 (378.19031060000003)
Ala Phe Ala Ala
C18H26N4O5 (378.19031060000003)
Phe Ala Ala Ala
C18H26N4O5 (378.19031060000003)
Phe Gly Gly Val
C18H26N4O5 (378.19031060000003)
Phe Gly Val Gly
C18H26N4O5 (378.19031060000003)
Phe Val Gly Gly
C18H26N4O5 (378.19031060000003)
Gly Phe Gly Val
C18H26N4O5 (378.19031060000003)
Gly Phe Val Gly
C18H26N4O5 (378.19031060000003)
Gly Gly Phe Val
C18H26N4O5 (378.19031060000003)
Gly Gly Val Phe
C18H26N4O5 (378.19031060000003)
Gly Val Phe Gly
C18H26N4O5 (378.19031060000003)
Gly Val Gly Phe
C18H26N4O5 (378.19031060000003)
Val Phe Gly Gly
C18H26N4O5 (378.19031060000003)
Val Gly Phe Gly
C18H26N4O5 (378.19031060000003)
Val Gly Gly Phe
C18H26N4O5 (378.19031060000003)
18-Hydroxycortisol
A 18-hydroxy steroid that is cortisol carrying a hydroxy group at position 18. Its urinary excretion is increased in patients with aldosterone-producing adenoma. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Pentosidine
C17H26N6O4 (378.20154360000004)
An imidazopyridine having norleucine and ornithine residues attached via their side-chains at the 4- and 2-positions respectively. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents
Isohumulinone A
Humulinone
Methyl (9Z)-6'-oxo-6,6'-diapo-6-carotenoate
Eremopetasitenin C1
Eremopetasitenin D1
Sugetriol triacetate
ST 21:3;O6
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
tert-butyl 1-benzylspiro[2H-indole-3,4-piperidine]-1-carboxylate
(-)-DIISOPROPYL O,O-BIS(TRIMETHYLSILYL)-D-TARTRATE
tert-Butyl 2-((tert-Butyldimethylsilyloxy)methyl)furo[3,2-b]pyridin-6-ylcarbamate
12-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]dodecanoic acid
C18H26N4O5 (378.19031060000003)
4,4-BIPHENYLDIBORONIC ACID BIS(NEOPENTYL GLYCOL) ESTER
C22H28B2O4 (378.21735880000006)
(2-(DICYCLOHEXYLPHOSPHINO)PHENYL)(PHENYL)METHANONE
8-Benzyl-2-(4-methoxybenzyl)-2,8-diazaspiro[4.5]decane-1,3-dione
C23H26N2O3 (378.19433260000005)
4-Piperidinecarboxylic acid,1-[1-(diphenylmethyl)-3-azetidinyl]-,ethyl ester
Estrofurate
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(phenylmethyl)- (9CI)
C22H26N4S (378.18780760000004)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(4-methylphenyl)- (9CI)
C22H26N4S (378.18780760000004)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclopentyl-N-(3-methylphenyl)- (9CI)
C22H26N4S (378.18780760000004)
Thiourea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexyl-N-phenyl- (9CI)
C22H26N4S (378.18780760000004)
(11β)-11,17,19,21-Tetrahydroxypregn-4-ene-3,20-dione
Tixocortol
C21H30O4S (378.18647000000004)
A - Alimentary tract and metabolism > A07 - Antidiarrheals, intestinal antiinflammatory/antiinfective agents > A07E - Intestinal antiinflammatory agents > A07EA - Corticosteroids acting locally R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AD - Corticosteroids C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C308 - Immunotherapeutic Agent > C574 - Immunosuppressant > C211 - Therapeutic Corticosteroid D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(2E)-2-[(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methylidene]undecanoic acid
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor E3330 (APX-3330) is a direct, orally active and selective inhibitor of Ape-1 (apurinic/apyrimidinic endonuclease 1)/Ref-1 (redox factor-1) redox. E3330 is able to impair tumor growth and blocks the activity of NF-κB, AP-1, and HIF-1α in pancreatic cancer. E3330 shows anticancer activities[1][2][3][4][5].
Tetrahydrofuranylfentanyl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
2-Propenoic acid, 3-(4,5,6,7-tetrahydro-4-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-2-benzofuranyl)-
4-[4-(tert-butyl)benzoyl]-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
21-Fluoro-11beta,17-dihydroxy-6alpha-methylprogesterone
CUMYL-PICA N-pentanoic acid metabolite
C23H26N2O3 (378.19433260000005)
12alpha-(Chloromethyl)-12-hydroxy-pregn-4-ene-3,20-dione
3-[(Acetyl-methyl-amino)-methyl]-4-amino-N-methyl-N-(1-methyl-1H-indol-2-ylmethyl)-benzamide
N-(4-Carbamimidoylbenzyl)-1-(3-Phenylpropanoyl)-L-Prolinamide
Cebranopadol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent Cebranopadol is an analgesic NOP and opioid receptor agonist with Kis/EC50s of 0.9 nM/13 nM, 0.7 nM/1.2 nM, 2.6 nM/17 nM, 18 nM/110 nM for human NOP, MOP, KOP and delta-opioid peptide (DOP) receptor, respectively.
Albafuran A
A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 6 and a 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl group at position 2.
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxyquinazolin-4-amine
1,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
(8S,9S,10S,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-2,3-dione
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
C23H26N2O3 (378.19433260000005)
(17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
N-cycloheptyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide
C20H30N2O3S (378.19770300000005)
1-Pentadecylglycerone 3-phosphate(2-)
C18H35O6P-2 (378.21711400000004)
N1,N4-Bis(1-phenylethyl)cyclohexane-1,4-dicarboxamide
1-[(2,3-dimethyl-4-imidazolyl)methyl]-N-[4-(2-furanyl)phenyl]-3-piperidinecarboxamide
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)-1,2-dihydroquinoline-3-carboxamide
C23H26N2O3 (378.19433260000005)
(9E)-12-(phosphonooxy)octadecenoic acid
C18H35O6P (378.21711400000004)
(9Z)-12-(phosphonooxy)octadecenoic acid
C18H35O6P (378.21711400000004)
(6R,10R,11S,13S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
1-[2-[(2S,5R,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
1-[2-[(2R,5R,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
1-[2-[(2S,5S,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
[(2S,3S,4S)-2-(hydroxymethyl)-4-[(propan-2-ylamino)methyl]-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-1-yl]-phenylmethanone
N-[[(2S,3S,4R)-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-(dimethylamino)acetamide
1-[2-[(2R,5S,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
1-[2-[(2R,5R,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
1-[2-[(2R,5S,6S)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
1-[2-[(2S,5S,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
1-[2-[(2S,5R,6R)-5-[[anilino(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-3-propan-2-ylurea
[(1S,2aR,8bR)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-pyrazinyl)methanone
2-(4-morpholinyl)-1-[(1R,5S)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone
[(2S,3R)-1-(cyclopentylmethyl)-6-ethylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol
C20H30N2O3S (378.19770300000005)
(1R,9R)-5-cyclohexyl-11-propylsulonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
C20H30N2O3S (378.19770300000005)
(6R,8S,9S,10R,11S,13S,14S,17R)-17-[(1S)-1,2-dihydroxyethyl]-6,11,17-trihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
(6R,8S,9S,10S,11S,13S,14S,17R)-6,11,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
(6R,8S,9S,10R,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-6,11,17-trihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
5-Acetoxy-1-(4-acetoxy-3-methoxyphenyl)decan-3-one
11,17-dihydroxy-17-(2-hydroxyacetyl)-13-(hydroxymethyl)-10-methyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
2,3-Bis(trimethylsilyl)octamethyltetrasilane
C14H42Si6 (378.19020120000005)
3-Ethoxy-6-(1,5-dihydroxy-5-methyl-4-phenylthiohexyl)-2-cyclohexen-1-one
C21H30O4S (378.18647000000004)
6alpha-Hydroxycortisol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
1-Pentadecylglycerone 3-phosphate(2-)
C18H35O6P (378.21711400000004)
A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-pentadecylglycerone 3-phosphate; major species at pH 7.3.
methyl (6e,8e,10e,12e,14e,16e,18e)-4,8,13,17-tetramethyl-20-oxoicosa-2,4,6,8,10,12,14,16,18-nonaenoate
13,17-dihydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 2-methylbut-2-enoate
(1r,4r,6r,7r,11s,12r,13s,16s,18r)-11,18-dihydroxy-6-methoxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁷,¹²]nonadecan-2-one
(1r,2'r,3s,4''s,5r,6s)-4''-methyl-2-methylidene-5''-oxodispiro[bicyclo[3.1.1]heptane-6,4':2',2''-bis(oxolane)]-3-yl 3-hydroxy-2,2-dimethylbutanoate
(6z)-3,7-dihydroxy-15-(4-hydroxyphenyl)-5-oxopentadec-6-enoic acid
(1r,2r,4r,6r,8s,9z,11r)-8-methoxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.0⁴,⁶]tetradec-9-en-2-yl (2r)-2-methylbutanoate
3-hydroxy-3-methyl-5-[4-(1,2,2-trimethyl-4-oxocyclopentyl)cyclohexa-1,3-diene-1-carbonyloxy]pentanoic acid
4-[(1e)-2-[5-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)chromen-7-yl]ethenyl]benzene-1,2-diol
(1s,4s,8r,9r,12s,13s,14s,16s,18r)-14,18-dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-2-one
6-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylbut-2-enoate
1-acetyl-3a,7,8,10-tetrahydroxy-9a,11a-dimethyl-1h,2h,3h,5ah,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-5-one
(1s,11s,12r,13s,16r,18r)-11,18-dihydroxy-6-methoxy-8,8-dimethyl-17-methylidene-3,5-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁷,¹²]nonadecan-2-one
(4r,4as,5r,6s,8ar,9as)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl (2z)-2-methylbut-2-enoate
(2e,6e,10s)-10-hydroxy-10-[(2s,5r)-5-hydroxy-4-oxo-3,5,6,7-tetrahydro-2h-1-benzofuran-2-yl]-2,6-dimethylundeca-2,6-dienoic acid
16-hydroxy-4,15-dimethoxy-2,14,17-trimethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-4-ene-3,11-dione
(1r,2r,4s,6r,8s,9r,11r,12s,16r,17r)-8,11,16-trihydroxy-2-methoxy-13,13-dimethyl-7-methylidene-3-oxapentacyclo[7.7.1.1⁶,⁹.0¹,¹².0⁴,¹⁷]octadecan-10-one
2-(3,4-dimethoxyphenyl)-5-methoxy-3-methyl-3a-(prop-2-en-1-yl)-hexahydro-1-benzofuran-6,7a-diol
(1s,2s,4ar,8ar)-1-(formyloxy)-1,4a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydronaphthalen-2-yl (2s,3s)-2,3-dimethyloxirane-2-carboxylate
16-hydroxy-4-methoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadecane-3,11,15-trione
(2e,6e)-9-[(2s,3s,8r)-3,8-dihydroxy-2-methyl-5-oxo-4,6,7,8-tetrahydro-3h-1-benzopyran-2-yl]-2,6-dimethylnona-2,6-dienoic acid
5-(6-hydroperoxy-2,6-dimethylhepta-1,4-dien-1-yl)-13-hydroxy-3-methyl-2,6-dioxatricyclo[7.4.0.0³,⁷]tridec-1(9)-en-10-one
(1s,14s,15s)-2,11,15-trimethyl-7-oxo-8,16,17-trioxatricyclo[13.2.2.0⁵,⁹]nonadeca-2,10-dien-14-yl acetate
4-{2-[(1s,2r,4s,5r,7s,10s,11r,12s)-2-hydroxy-4-methoxy-11,12-dimethyl-3,6-dioxatetracyclo[8.4.0.0¹,⁵.0⁵,⁷]tetradecan-11-yl]ethyl}-5h-furan-2-one
(4r,4as,5r,6s,8ar,9ar)-4-hydroxy-9a-methoxy-3,4a,5-trimethyl-2-oxo-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-6-yl (2z)-2-methylbut-2-enoate
(2e,6e)-10-hydroxy-10-[(2s,7r)-7-hydroxy-4-oxo-3,5,6,7-tetrahydro-2h-1-benzofuran-2-yl]-2,6-dimethylundeca-2,6-dienoic acid
4,8-dimethyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.0²,⁴]tetradec-7-en-9-yl 3-hydroxy-3-methylpentanoate
(2e,10s)-10-hydroxy-10-[(2s,7r)-7-hydroxy-4-oxo-3,5,6,7-tetrahydro-2h-1-benzofuran-2-yl]-2,6-dimethylundeca-2,6-dienoic acid
(1r,2's,3s,4''s,5r,6s)-4''-methyl-2-methylidene-5''-oxodispiro[bicyclo[3.1.1]heptane-6,4':2',2''-bis(oxolane)]-3-yl 3-hydroxy-2,2-dimethylbutanoate
(1r,5r,7s,8s)-1-[(1e)-2,6-dimethylhepta-1,5-dien-1-yl]-8-methoxy-3,10-dioxo-2-oxaspiro[4.5]decan-7-yl acetate
(2e,6e)-2,6-dimethyl-9-[(2r)-2-methyl-5-oxopyrano[3,2-c]chromen-2-yl]nona-2,6-dienal
(3r)-3-hydroxy-3-methyl-5-{4-[(1s)-1,2,2-trimethyl-4-oxocyclopentyl]cyclohexa-1,3-diene-1-carbonyloxy}pentanoic acid
14,18-dihydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.0¹,¹³.0⁴,¹².0⁸,¹²]nonadecan-2-one
methyl 8a-(hydroxymethyl)-5,6-dimethyl-5-(2-{3-oxo-2,6-dioxabicyclo[3.1.0]hexan-4-yl}ethyl)-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate
11β-hydroxyleukodin 11-o-β-glucopyranoside
{"Ingredient_id": "HBIN000369","Ingredient_name": "11\u03b2-hydroxyleukodin 11-o-\u03b2-glucopyranoside","Alias": "NA","Ingredient_formula": "C21H30O6","Ingredient_Smile": "CC12CCC(=O)C=C1C(CC3C2C(CC4(C3CCC4(C(=O)CO)O)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10318","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
16-ethoxystrychnine
C23H26N2O3 (378.19433260000005)
{"Ingredient_id": "HBIN001898","Ingredient_name": "16-ethoxystrychnine","Alias": "NA","Ingredient_formula": "C23H26N2O3","Ingredient_Smile": "CCOC12CC3C4C5CC(=O)N6C4C1(CCN2CC3=CCO5)C7=CC=CC=C76","Ingredient_weight": "378.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7416","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "200053","DrugBank_id": "NA"}
6β-angeloyloxy-10β-hydroxy-8α-methoxyere-mophil-7(11)-en-12,8β-olide
{"Ingredient_id": "HBIN012256","Ingredient_name": "6\u03b2-angeloyloxy-10\u03b2-hydroxy-8\u03b1-methoxyere-mophil-7(11)-en-12,8\u03b2-olide","Alias": "NA","Ingredient_formula": "C21H30O6","Ingredient_Smile": "CC=C(C)C(=O)OC1CCC2(CC3(C(=C(C(=O)O3)C)CC2(C1C)C)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1228","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6β-angeloyloxy-10β-hydroxy-8β-methoxyere-mophil-7(11)-en-12,8α-olide
{"Ingredient_id": "HBIN012257","Ingredient_name": "6\u03b2-angeloyloxy-10\u03b2-hydroxy-8\u03b2-methoxyere-mophil-7(11)-en-12,8\u03b1-olide","Alias": "NA","Ingredient_formula": "C21H30O6","Ingredient_Smile": "CC=C(C)C(=O)OC1CCC(C2(C1(CC3(C(=C(C(=O)O3)C)C2)OC)O)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1229","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}