Exact Mass: 304.1973
Exact Mass Matches: 304.1973
Found 343 metabolites which its exact mass value is equals to given mass value 304.1973,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
7a-Hydroxytestosterone
4-Hydroxytestosterone is the 17-hydroxylated analog to formestane. It is commercially available on the internet as anabolic steroid for oral self-administration and does not have any therapeutic indication. Hence, only little information is available about its metabolism. So far, most studies dealt with 4-hydroxytestosterone as metabolite of formestane while one study investigated the glucuronic acid conjugates of metabolic products of 4-hydroxytestosterone. This substance is prohibited in sports by the World Anti-Doping Agency; there is to a considerable increase of structurally related steroids with anabolic effects offered via the internet. 4-Hydroxytestosterone is a metabolite of the steroidal aromatase inhibitor 4-hydroxyandrost-4-ene-3,17-dione (4OHA). (PMID: 17724580, 17610244, 17207827, 1284430) [HMDB] 4-Hydroxytestosterone is the 17-hydroxylated analog to formestane. It is commercially available on the internet as anabolic steroid for oral self-administration and does not have any therapeutic indication. Hence, only little information is available about its metabolism. So far, most studies dealt with 4-hydroxytestosterone as metabolite of formestane while one study investigated the glucuronic acid conjugates of metabolic products of 4-hydroxytestosterone. This substance is prohibited in sports by the World Anti-Doping Agency; there is to a considerable increase of structurally related steroids with anabolic effects offered via the internet. 4-Hydroxytestosterone is a metabolite of the steroidal aromatase inhibitor 4-hydroxyandrost-4-ene-3,17-dione (4OHA). (PMID: 17724580, 17610244, 17207827, 1284430).
11-Ketoetiocholanolone
11-Ketoetiocholanolone is an endogenous anabolic androgenic steroid. The concentration ratio of 11-hydroxyetiocholanolone/11-hydroxyandrosterone is increased in patients with uterine leiomyomas, and it appears to be caused by a decrease in patients metabolite of steroids. The concentration of 11-Ketoetiocholanolone is significantly higher in these patients. There is a relationship between urinary endogenous steroid metabolites and lower urinary tract function related to the residual vol. in uroflowmetry in postmenopausal women. (PMID: 15808004, 14698830, 12728469) [HMDB] 11-Ketoetiocholanolone is an endogenous anabolic androgenic steroid. The concentration ratio of 11-hydroxyetiocholanolone/11-hydroxyandrosterone is increased in patients with uterine leiomyomas, and it appears to be caused by a decrease in patients metabolite of steroids. The concentration of 11-Ketoetiocholanolone is significantly higher in these patients. There is a relationship between urinary endogenous steroid metabolites and lower urinary tract function related to the residual volume in uroflowmetry in postmenopausal women. (PMID: 15808004, 14698830, 12728469). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
16a-Hydroxydehydroisoandrosterone
16a-Hydroxydehydroisoandrosterone is a metabolite present during pregnancy with increased concentrations as it progresses (PMID 6461703). A reduced level of 16a-Hydroxydehydroisoandrosterone is observed in cases of Placental sulfatase deficiency (PSD), a rare disorder with low estrogen production due to placental enzymatic deficiency. (PMID 2150812) [HMDB] 16a-Hydroxydehydroisoandrosterone is a metabolite present during pregnancy with increased concentrations as it progresses (PMID 6461703). A reduced level of 16a-Hydroxydehydroisoandrosterone is observed in cases of Placental sulfatase deficiency (PSD), a rare disorder with low estrogen production due to placental enzymatic deficiency. (PMID 2150812). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6beta-Hydroxytestosterone
Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure.
w Hydroxy testosterone
This compound belongs to the family of Androgens and Derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans
8-Cyclopentyl-1,3-dipropylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists DPCPX (PD 116948), a xanthine derivative, is a highly potent and selective Adenosine A1 receptor antagonist, with a Ki of 0.46 nM in 3H-CHA binding to A1 receptors in rat whole brain membranes[1][2][3].
1,2,4,5-Tetrahydrotestolactone
11beta-Hydroxytestosterone
11beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB] 11beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure.
7a-Hydroxydehydroepiandrosterone
7a-Hydroxydehydroepiandrosterone is a major metabolite of dehydroepiandrosterone (DHEA), which is is 7alpha-hydroxylated by the cytochrome P450 7B1 (EC 1.14.13.100, 25-hydroxycholesterol 7alpha-hydroxylase, CYP7B1) in the human brain and liver microsomes. Exposure to the proinflammatory cytokines TNFalpha, IL-1alpha, IL-1beta, and IL-17 increases CYP7B activity in synovial tissue. Increased CYP7B activity leads to higher levels of the DHEA metabolite 7alpha-OH-DHEA in synovial fluid, which may contribute to the maintenance of the chronic inflammation observed in rheumatoid arthritis patients. The glucocorticoid dhydrocorticosterone inhibits the conversion of DHEA to 7a-Hydroxydehydroepiandrosterone. The total levels of 7a-Hydroxydehydroepiandrosterone are increased in serum of patients with Alzheimers disease. (PMID: 17467270, 15751070, 12667489, 9520908) [HMDB] 7a-Hydroxydehydroepiandrosterone is a major metabolite of dehydroepiandrosterone (DHEA), which is is 7alpha-hydroxylated by the cytochrome P450 7B1 (EC 1.14.13.100, 25-hydroxycholesterol 7alpha-hydroxylase, CYP7B1) in the human brain and liver microsomes. Exposure to the proinflammatory cytokines TNFalpha, IL-1alpha, IL-1beta, and IL-17 increases CYP7B activity in synovial tissue. Increased CYP7B activity leads to higher levels of the DHEA metabolite 7alpha-OH-DHEA in synovial fluid, which may contribute to the maintenance of the chronic inflammation observed in rheumatoid arthritis patients. The glucocorticoid dhydrocorticosterone inhibits the conversion of DHEA to 7a-Hydroxydehydroepiandrosterone. The total levels of 7a-Hydroxydehydroepiandrosterone are increased in serum of patients with Alzheimers disease. (PMID: 17467270, 15751070, 12667489, 9520908). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
12-epi-fischerindole U
A tetracyclic indole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
hapalindole U
A hapalindole that is hapalindole H in which the octahydronaphthalene ring junction carbons both have S configuration instead of R.
11beta,17beta-Dihydroxy-4-androsten-3-one
This compound belongs to the family of Androgens and Derivatives. These are hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.
hapalindole H
A tetracyclic hapalindole alkaloid that is produced by the Stigonematales genus of cyanobacteria.
12-epi-Hapalindole U
A tetracyclic hapalindole that is hapalindole U in which the carbon bearing the vinyl group has S configuration instead of R. It is produced by the Stigonematales genus of cyanobacteria.
ST 19:2;O3
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones A 17beta-hydroxy steroid that is testosterone bearing an additional hydroxy substituent at the 6beta-position. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
cis-[8]-Shogaol
cis-[8]-Shogaol is found in ginger. cis-[8]-Shogaol is isolated from ginger (Zingiber officinale) [DFC] (Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC. [8]-Shogaol is a monomethoxybenzene, an enone and a member of phenols. (8)-Shogaol is a natural product found in Zingiber officinale with data available. See also: Ginger (part of). Constituent of grains of paradise (Amomum melegueta) and (Zingiber officinale) [DFC]. [8]-Shogaol is found in ginger. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4]. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4].
19-Hydroxytestosterone
19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone.
10-Acetoxy-8-heptadecene-4,6-diyn-3-ol
10-Acetoxy-8-heptadecene-4,6-diyn-3-ol is found in tea. 10-Acetoxy-8-heptadecene-4,6-diyn-3-ol is a constituent of Panax ginseng (ginseng). Constituent of Panax ginseng (ginseng). 10-Acetoxy-8-heptadecene-4,6-diyn-3-ol is found in tea.
Ginsenoyne G
Ginsenoyne G is found in tea. Ginsenoyne G is isolated from ginseng root. Isolated from ginseng root. Ginsenoyne G is found in tea.
16-Oxoandrostenediol
16-Oxoandrostenediol is a naturally occurring androgenic steroid hormone generated by the adrenal glands. It has been found in the urine of newborn infants. Secretion of this steroid is suppressed by dexamethasone. Levels of this hormone are almost absent by 5 months of age. ((Steroids (1964), 3(1), 77-83.) ). 16-Oxoandrostenediol is a natural hormone with androgenic activity and that two potent antiandrogens: hydroxyflutamide (Eulexin) and bicalutamide (Casodex). 16-Oxoandrostenediol is a naturally occurring androgenic steroid hormone generated by the adrenal glands. It has been found in the urine of newborn infants. Secretion of this steroid is suppressed by dexamethasone. Levels of this hormone are almost absent by 5 months of age. ((Steroids (1964), 3(1), 77-83.) )
3alpha,16beta-Dihydroxyandrostenone
3alpha,16beta-Dihydroxyandrostenone belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 3alpha,16beta-dihydroxyandrostenone is considered to be a steroid lipid molecule. 3alpha,16beta-Dihydroxyandrostenone is an unusual steroid found in the urinary excretion of a subject having a virilizing malignant adrenocortical tumor; apparent 21-steroid hydroxylase deficiency is discussed in the light of these results as well as the hormonogenesis enzymatic induction of the tumour biopsy (PMID: 198067). 3a,16b-Dihydroxyandrostenone is an unusual steroid found in the urinary excretion of a subject having a virilizing malignant adrenocortical tumor; apparent 21-steroid hydroxylase deficiency is discussed at the light of these results and of the hormonogenesis enzymatic induction of the tumour biopsy. (PMID 198067) [HMDB]
3alpha,16alpha-Dihydroxyandrostenone
3alpha,16alpha-Dihydroxyandrostenone belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favour the development of masculine characteristics. They also show profound effects on scalp and body hair in humans. Thus, 3alpha,16alpha-dihydroxyandrostenone is considered to be a steroid lipid molecule. 3alpha,16alpha-Dihydroxyandrostenone is the most abundant single urinary metabolite of 16alpha-hydroxydehydroisoandrosterone present in normal, non-pregnant humans (PMID: 6049445). 3alpha,16alpha-Dihydroxyandrostenone was found in the urine sample from a patient who had an inoperable asymptomatic adrenal carcinoma and who excreted about 5 mg/day (PMID: 4733093). 3alpha,16-Dihydroxyandrostenone is a urinary C19 steroid usually present at a very low level in normal pregnancy; however, it is increased in women with androgenic alopecia (PMID: 10751586). 3a,16a-Dihydroxyandrostenone is the most abundant single urinary metabolite of 16a-hydroxydehydroisoandrosterone (PMID 6049445), present in normal, non-pregnant human. It was found in the urine sample from a patient who had an inoperable asymptomatic adrenal carcinoma and who excreted about 5 mg/day (PMID 4733093) [HMDB]
7b-Hydroxydehydroepiandrosterone
7b-Hydroxydehydroepiandrosterone is one of the major metabolites of dehydroepiandrosterone. Dehydroepiandrosterone (DHEA) is a precursor of testosterone. DHEA) is 7a-hydroxylated by the cytochrome P450 7B1 (CYP7B1) in the human brain and liver. This produces 7a-hydroxy-DHEA that is a substrate for 11b-hydroxysteroid dehydrogenase type 1 (11b-HSD1) which exists in the same tissues and carries out the inter-conversion of 7a- and 7b-hydroxy-DHEA through a 7-oxo-intermediary. Both 7a-hydroxy-DHEA and 7b-hydroxy-DHEA competitively inhibited the cortisol oxidation, 7b-hydroxy-DHEA being seven times more potent in humans. Distinct species-specific routes of metabolism of DHEA and the interconversion of its metabolites obviate extrapolation of animal studies to humans. (PMID: 17467270, 12667489) [HMDB] 7b-Hydroxydehydroepiandrosterone is one of the major metabolites of dehydroepiandrosterone. Dehydroepiandrosterone (DHEA) is a precursor of testosterone. DHEA) is 7a-hydroxylated by the cytochrome P450 7B1 (CYP7B1) in the human brain and liver. This produces 7a-hydroxy-DHEA that is a substrate for 11b-hydroxysteroid dehydrogenase type 1 (11b-HSD1) which exists in the same tissues and carries out the inter-conversion of 7a- and 7b-hydroxy-DHEA through a 7-oxo-intermediary. Both 7a-hydroxy-DHEA and 7b-hydroxy-DHEA competitively inhibited the cortisol oxidation, 7b-hydroxy-DHEA being seven times more potent in humans. Distinct species-specific routes of metabolism of DHEA and the interconversion of its metabolites obviate extrapolation of animal studies to humans. (PMID: 17467270, 12667489). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2beta-Hydroxytestosterone
2beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure.
1-Hydroxytestosterone
15-Hydroxytestosterone
16beta-Hydroxydehydroepiandrosterone
4-Androsten-6-beta,17-beta-diol-3-one
4-Hydroxytestosterone
3beta,7-Dihydroxyandrosta-5-ene-17-one
7alpha,17beta-Dihydroxyandrost-4-en-3-one
11,17beta-Dihydroxyandrost-4-en-3-one
Quinupramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
(8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
ent-15-Nor-14-oxo-8(17),12E-labdadiene-18-oic acid
Quinupramine
N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants > N06AA - Non-selective monoamine reuptake inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant
3,9-Bis(1,1-dimethyl-2-hydroxyethyl)-2,4,8,10-tetraoxaspiro[5.5]undecane
16beta-Hydroxy-5alpha-androstan-3,6-dion|16beta-hydroxy-5alpha-androstane-3,6-dione
(1alpha,4beta,5beta,6beta,7beta,9alpha,10alpha)-1,4,6,9,15-Eudesmanepentol
11alpha-Hydroxy-5alpha-androstan-3,16-dion|11alpha-hydroxy-5alpha-androstane-3,16-dion
(13beta,14beta)-13,14-Epoxy-4-hydroxy-19-nor-7-abieten-6-one
caribenol B
A cyclic terpene ketone that is 2a,3,4,5,5a,6,7,8-octahydroacenaphthylen-1(2H)-one substituted by hydroxy groups at positions 2 and 2a, methyl groups at positions 2, 5 and 8 and a 2-methylprop-1-en-1-yl group at position 3. It is isolated from the the West Indian gorgonian octocoral Pseudopterogorgia elisabethae and exhibits antitubercular and antimalarial activity.
Ac-15alpha-15-Hydroxy-17-nor-5,6-seco-7,9(11)-spongiadien-16,15-olide
Flavoglaucin
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates A natural product found in Eurotium repens.
19-norisopimara-4(18),8(14),15-triene-2alpha,7beta,17-triol
4-Oxo-Delta9,Delta11,Delta13,Delta15-octadecatetraen-saeure-methylester
10alpha,19-dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene|10??,19-Dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene
18-nor-abieta-8,11,13-triene-4alpha,7alpha,15-triol
(E)-2-(hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol|repenol A
(4E,6R,7R,11S)-6,7-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one|cespitulin E
(rel-8R)-9-oxo-9,10-seco-labda-5(10),13-dien-15,16-olide|vitextrifolin E
4-Epimer,4-hydroperoxide,7alpha-alcohol-4-Hydroxy-18-nor-8,11,13-abietatrien-7-one|7alpha-hydroxy-19-norabieta-8,11,13-triene-4-hydroperoxide
(+/-)-8-{4-oxo-5-[E-pent-2-en-E-ylidene]cyclopent-2-enyl}octanoic acid methyl ester|methyl 8-<(2E)-3-oxo-2-((E)-2-pentenylidene)-4-cyclopentenyl>octanoate
ent-15-nor-14-oxo-3,4-seco-4,8,12(E)-labdatrien-3-oic acid
methyl ent-2,4-seco-4-oxo-3,19-dinorbeyer-15-en-2-oate
1-Ac-(E)-8-Heptadecene-4,6-diyne-1,10-diol|17-acetoxy-heptadec-9t-ene-11,13-diyn-8-ol|Heptadecen-(8t)-diin-(4,6)-diol-(1,10)-monoacetat-(1)|trans-1-Acetoxy-heptadecen-(8)-diin-(4.6)-ol-(10)
(-)-methyl 13-oxo-15,16-dinorlabda-8(17),11E-dien-19-oate|14,15-bisnor-13-oxo-8(17),11(E)-labdadien-19-oic acid methyl ester|15,16-dinorlabda-8(20),11E-dien-13-one-19-oic acid methyl ester|methyl 13-oxo-14,15-dinorlabda-8(17),11E-dien-19-oate
2-heptyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one
C19H28O3_5,9-Dimethyl-14-oxotetracyclo[11.2.1.0~1,10~.0~4,9~]hexadecane-5-carboxylic acid
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based on: CCMSLIB00000849054]
(E)-1-(4-hydroxy-3-methoxyphenyl)dodec-4-en-3-one [IIN-based: Match]
4-Hydroxytestosterone
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1740 - Aromatase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist
ascr#10
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (8R)-8-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). A metabolite of the nematode Caenorhabditis elegans, it is the direct biosynthetic precursor to ascr#3. It has also been detected in the sour paste nematode, Panagrellus redivivus.
oscr#10
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 9-hydroxynonanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
(5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-3-one
(5S,8R,9S,10S)-18-nor-cleroda-13-en-16,15-olide-4-one
2-(2,2,2-Trimethylacetamido) pyridine-3-boronic acid pinacol ester
(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
5-(Morpholinomethyl)pyridine-3-boronic acid pinacol ester
N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Pyridinecarboxamide
4-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHYL)MORPHOLINE
trans,trans-4-(3,4-Difluorophenyl)-4-vinylbicyclohexyl
4-METHOXY-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
6alpha-Hydroxytestosterone
1-methyl-4-[1-(4-nitrophenyl)piperidin-4-yl]piperazine
N,N-DIETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINAMIDE
2-(4-Methylpiperazin-1-yl)pyrimidine-5-boronic acid pinacol ester
Tracazolate
C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2-(dimethylamino)-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
4-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
2α-Hydroxy Testosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 2. A natural product found in Daphnia magna exposed to the biocide tributyltin.
2,2-(2,4,8,10-TETRAOXASPIRO[5.5]UNDECANE-3,9-DIYL)BIS(2-METHYLPROPAN-1-OL)
5-Methyl-6-(morpholin-4-yl)pyridine-3-boronic acid pinacol ester
1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Methylatropine
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03B - Belladonna and derivatives, plain > A03BB - Belladonna alkaloids, semisynthetic, quaternary ammonium compounds D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics
16beta-Hydroxytestosterone
An androstanoid that is testosterone substituted by a beta-hydroxy group at position 16. A natural product found in Daphnia magna exposed to the biocide tributyltin.
9-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
(8R)-8-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonanoic acid
4beta,5-Epoxy-17beta-hydroxy-5beta-androstan-3-one
(3-endo)-3-[(2S)-3-Hydroxy-1-oxo-2-phenylpropoxy]-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane
6-Methyl-9-(2-(2-methyl-5-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole
8-Shogaol
Constituent of ginger (Zingiber officinale) [DFC]. 1-(3,4-Dimethoxyphenyl)-4-decen-3-one is found in ginger. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4]. [8]-Shogaol, one of the pungent phenolic compounds in ginger, exhibits anti-platelet activity (IC50=5 μM) and inhibits COX-2 (IC50=17.5 μM). [8]-Shogaol induces apoptosis in human leukemia cells[1][2][3][4].
6 β hydroxy testosterone
Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB]
19-Hydroxytestosterone
A 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19. 19-Hydroxytestosterone is an intermediate in Androgen and estrogen metabolism. 19-Hydroxytestosterone is the 4th to last step in the synthesis of 16-Glucuronide-estriol. It is generated from Testosterone via the enzyme cytochrome P450 (EC 1.14.14.1) and then converted to 19-Oxotestosterone. [HMDB]. 19-Hydroxytestosterone is found in many foods, some of which are hedge mustard, tinda, black walnut, and babassu palm.
2β-Hydroxy Testosterone
An androstanoid that is testosterone carrying an additional hydroxy substituent at the 2beta-position. 2beta-Hydroxytestosterone is a Testosterone derivative metabolite. Testosterone is reported to have an acute vasodilating action in vitro, an effect that may impart a favourable haemodynamic response in patients with chronic heart failure. [HMDB]
5,9-Dimethyl-14-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Monacolin L
A polyketide that is 1-ethyl-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalene in which one of the methyl hydrogens from the ethyl group is replaced by a 4-hydroxy-6-ketopyran-2-yl group.
(6aR,9S,10R,10aR)-10-isocyano-6,6,9-trimethyl-9-vinyl-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indole
(8R,10S,13S,17S)-17-hydroxy-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
(8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2,3-dione
15-Hydroxytestosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 15. A natural product found in Daphnia magna exposed to the biocide tributyltin.
(e)-2-(Hept-1-enyl)-3-(hydroxymethyl)-5-(3-methylbut-2-enyl)benzene-1,4-diol
A natural product found in Eurotium repens.
15-norlabda-8(20),12E-diene-14-carboxaldehyde-19-oic acid
A natural product found in Metasequoia glyptostroboides.
3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
16-alpha-Methyl-16-beta-hydroxy-19-nortestosterone
4-Ethenyl-3-isocyano-4,8,8-trimethyl-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),9(16),10,12-tetraene
3-(3-ethenyl-2-isocyano-3-methyl-6-prop-1-en-2-ylcyclohexyl)-1H-indole
Methyl (3R,6S)-3-(tert-butyldimethylsiloxy)-7-hydroxy-6-methylheptanoate
16alpha-Hydroxydehydroepiandrosterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
11beta-Hydroxytestosterone
An androstanoid that is testosterone carrying an additional hydroxy substituent at the 11beta-position.
7alpha-Hydroxydehydroepiandrosterone
An androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7alpha-position. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
DPCPX
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists DPCPX (PD 116948), a xanthine derivative, is a highly potent and selective Adenosine A1 receptor antagonist, with a Ki of 0.46 nM in 3H-CHA binding to A1 receptors in rat whole brain membranes[1][2][3].
11-Oxo etiocholanolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7beta-Hydroxydehydroepiandrosterone
An androstanoid that is dehydroepiandrosterone carrying an additional hydroxy substituent at the 7beta-position. It is a metabolite of dehydroepiandrosterone.
3beta,6alpha-dihydroxy-5alpha-androst-9(11)-en-17-one
3-geranyl-3-[(Z)-2-isocyanovinyl]-3H-indole
A member of the class of indoles in which the hydrogens at position 3 of 3H-indole have been replaced by 2-isocyanovinyl and geranyl groups.
19-oxo-5alpha-dihydrotestosterone
An androstanoid that is 5alpha-dihydrotestosterone carrying an additional oxo susbstituent at position 19.
7alpha -hydroxytestosterone
An androstanoid that is testosterone substituted by a alpha-hydroxy group at position 7. A natural product found in Daphnia magna exposed to the biocide tributyltin
(1s,4as,9r,10ar)-1-hydroperoxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
(1s,4r,5r,9r,10s,13s,14r)-14-hydroxy-5,14-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-11-ene-5-carboxylic acid
methyl 1,4a-dimethyl-6-methylidene-5-(3-oxobut-1-en-1-yl)-hexahydro-2h-naphthalene-1-carboxylate
{2,6,8-trimethyl-9-oxotricyclo[6.3.0.0¹,⁵]undec-10-en-6-yl}methyl 2-methylpropanoate
(1s,5s,8r,9s,11s,12s)-12-hydroxy-5,9,12-trimethyl-11-(2-methylprop-1-en-1-yl)-2-oxatricyclo[6.4.1.0⁴,¹³]tridec-4(13)-en-3-one
(4e,6r,7r,11s)-6,7-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one
12-(2-hydroxypropan-2-yl)-9-methyl-5-propyl-8-oxatricyclo[7.3.1.0²,⁷]trideca-2,4,6-trien-3-ol
(1s,5s,6s,9r,11s,13r)-6-acetyl-11-ethenyl-6,11,13-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]tridecan-3-one
4-[2-(7-hydroxy-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-5h-furan-2-one
(4as,4br,7r,8r,8as,10as)-7-ethenyl-8,8a-dihydroxy-4a,7-dimethyl-1-methylidene-octahydro-2h-phenanthren-9-one
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-10-en-6-one
methyl 8-[4-oxo-5-(pent-2-en-1-ylidene)cyclopent-2-en-1-yl]octanoate
(6as,9s,10r,10as)-9-ethenyl-10-isocyano-6,6,9-trimethyl-5h,6ah,7h,8h,10h,10ah-indeno[2,1-b]indole
6-methyl-11-(6-methylhept-5-en-2-yl)-9-oxabicyclo[6.2.1]undec-5-ene-2,10-dione
(1s,2r,3s,4s)-1-ethenyl-3-(1h-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
methyl 2-{4-acetyl-5,9-dimethyltricyclo[7.2.1.0¹,⁶]dodec-10-en-5-yl}acetate
(1r,4ar,5s,8ar)-1,4a-dimethyl-5-[(2e)-3-methyl-4-oxobut-2-en-1-yl]-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-4-(2-methylpropoxy)-4h,5h,6h,7h,8h,8ah-naphtho[2,3-b]furan-9-one
10α,19-dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene
{"Ingredient_id": "HBIN000050","Ingredient_name": "10\u03b1,19-dihydroxy-15,16-epoxy-8(17),13(16),14-nor-ent-labdatriene","Alias": "NA","Ingredient_formula": "C19H28O3","Ingredient_Smile": "CC1(CCCC2(C1CCC(=C)C2CCC3=COC=C3)O)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5875","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
agallochin i
{"Ingredient_id": "HBIN014810","Ingredient_name": "agallochin i","Alias": "NA","Ingredient_formula": "C19H28O3","Ingredient_Smile": "CC1C2C(CC34CC(CCC3C25CCC1(OC5)O)(C=C4)C)O","Ingredient_weight": "304.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "692","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "21635710","DrugBank_id": "NA"}
