Exact Mass: 304.2038338
Exact Mass Matches: 304.2038338
Found 500 metabolites which its exact mass value is equals to given mass value 304.2038338,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 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
C16H24N4O2 (304.18991639999996)
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.
3-Methyladipoylcarnitine
3-Methyladipoylcarnitine is an acylcarnitine. More specifically, it is an 3-methylhexanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Methyladipoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-methyladipoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). 3-Methyladipoylcarnitine has been identified in blood and urine (PMID: 31396400 ). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
1-Hydroxytestosterone
15-Hydroxytestosterone
16beta-Hydroxydehydroepiandrosterone
4-Androsten-6-beta,17-beta-diol-3-one
4-Hydroxytestosterone
2-Piperidinecarboxamide, 1-butyl-N-(4-hydroxy-2,6-dimethylphenyl)-
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
Tilisolol
C17H24N2O3 (304.17868339999995)
Vadocaine
C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
Aleuritic_acid
Aleuretic Acid is a long-chain fatty acid. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1]. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1].
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
2-Piperidinecarboxamide, 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)-
Aleuritic acid
Origin: Animal; SubCategory_DNP: Lipids, Fatty acids Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1]. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1].
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
6,7,16-trihydroxy-hexadecanoic acid|6,7,16-Trihydroxy-hexadecansaeure|6,7,16-Trihydroxyhexadecansaeure
(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)
10,11,15-trihydroxy-hexadecanoic acid|10,11,15-Trihydroxy-hexadecansaeure|9.10.14-Trioxy-pentadecan-carbonsaeure-(1)|Hexadecantriol-(10.11.15)-saeure-(1)|iota.chi.xi-Trioxy-palmitinsaeure|iota.kappa.xi-Trioxy-palmitinsaeure|iota.kappa.xi-Trioxy-pentadecan-alpha-carbonsaeure
(Z)-docos-19-ene-2,9,11,13,21-pentayn-1-ol|Siphonochalynol
(-)-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
C16H25BN2O3 (304.19581300000004)
(4-methoxyphenyl) 4-pentylcyclohexane-1-carboxylate
5-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine
TERT-BUTYL (1-BENZYLPIPERIDIN-4-YL)(METHYL)CARBAMATE
(S)-1-PYRROLIDIN-2-(1H-INDOL-3YLMETHYL)-2-(N-CBZ-N-METHYL)AMINO-ETHANE
5-(Morpholinomethyl)pyridine-3-boronic acid pinacol ester
C16H25BN2O3 (304.19581300000004)
5-((Neopentylamino)methyl)pyridine-3-boronic acid pinacol ester
6-pivalamidopyridine-3-boronic acid pinacol ester
C16H25BN2O3 (304.19581300000004)
2-ETHYLHEXYL α-CYANO-4-(3-METHYLOXAZOLIN-2-YLIDENE)CROTONATE
C17H24N2O3 (304.17868339999995)
N,N-Diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-Pyridinecarboxamide
C16H25BN2O3 (304.19581300000004)
4-Methoxy-1-(triisopropylsilyl)-1H-pyrrolo[2,3-c]pyridine
ISOPROPYL 3-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
C17H25BO4 (304.18458000000004)
4-((5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)METHYL)MORPHOLINE
C16H25BN2O3 (304.19581300000004)
methyl 4-(3-piperidin-1-ylpropylcarbamoyl)benzoate
C17H24N2O3 (304.17868339999995)
(R)-tert-Butyl 4-benzyl-2-formylpiperazine-1-carboxylate
C17H24N2O3 (304.17868339999995)
TERT-BUTYL N-[(1-BENZYL-4-PIPERIDINYL)METHYL]CARBAMATE
trans,trans-4-(3,4-Difluorophenyl)-4-vinylbicyclohexyl
4-METHOXY-1-TRIISOPROPYLSILANYL-1H-PYRROLO[2,3-B]PYRIDINE
4-[2-(HydroxyMethyl)-1H-benzoimidazol-1-yl]butyl Pivalate
C17H24N2O3 (304.17868339999995)
2-(4-hexoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C18H29BO3 (304.22096339999996)
6alpha-Hydroxytestosterone
Tilisolol
C17H24N2O3 (304.17868339999995)
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents
2-(1,3-Dioxolan-2-yl)-1-phenylethylboronic acid pinacol ester
C17H25BO4 (304.18458000000004)
tert-butyl 4-benzyl-2-ethylpiperazine-1-carboxylate
Boronic acid, [1-[(1,1-dimethylethyl)dimethylsilyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-, dimethyl ester (9CI)
4,4,5,5-TETRAMETHYL-2-(4-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PHENYL)-1,3,2-DIOXABOROLANE
C17H25BO4 (304.18458000000004)
1-methyl-4-[1-(4-nitrophenyl)piperidin-4-yl]piperazine
C16H24N4O2 (304.18991639999996)
Ethyl 3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate
C17H25BO4 (304.18458000000004)
N,N-DIETHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINAMIDE
C16H25BN2O3 (304.19581300000004)
4-(tert-Butoxycarbonyl)phenylboronic acid pinacol ester
C17H25BO4 (304.18458000000004)
TERT-BUTYL 4-(4-FORMYLBENZYL)PIPERAZINE-1-CARBOXYLATE
C17H24N2O3 (304.17868339999995)
TERT-BUTYL BENZYLOXY(4-CYANOBUTYL)CARBAMATE
C17H24N2O3 (304.17868339999995)
2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)aniline
(S)-tert-Butyl (1-phenyl-3-(pyrrolidin-1-yl)propan-2-yl)carbamate
2-(4-Methylpiperazin-1-yl)pyrimidine-5-boronic acid pinacol ester
tert-butyl 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
C17H25BO4 (304.18458000000004)
4,4,5,5-TETRAMETHYL-2-(3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)PHENYL)-1,3,2-DIOXABOROLANE
C17H25BO4 (304.18458000000004)
3-(tert-Butoxycarbonyl)phenylboronic acid pinacol ester
C17H25BO4 (304.18458000000004)
5-O-(tert-Butyldimethylsilyl)-2,3-O-isoproylidene-D-ribofuranose
Tracazolate
C16H24N4O2 (304.18991639999996)
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
C16H25BN2O3 (304.19581300000004)
(S)-1-Boc-4-benzylpiperazine-2-carbaldehyde
C17H24N2O3 (304.17868339999995)
TERT-BUTYL 4-(3-FORMYLBENZYL)PIPERAZINE-1-CARBOXYLATE
C17H24N2O3 (304.17868339999995)
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
C16H25BN2O3 (304.19581300000004)
1-BOC-4-(4-CARBAMIMIDOYL-PHENYL)-PIPERAZINE
C16H24N4O2 (304.18991639999996)
2-BENZYLAMINO-N-CYCLOHEXYL-SUCCINAMIC ACID
C17H24N2O3 (304.17868339999995)
1-Propyl-3-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea
C16H25BN2O3 (304.19581300000004)
1-propan-2-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
C16H25BN2O3 (304.19581300000004)
(1-Phenethyl-piperidin-4-yl)-carbamic acid tert-butyl ester
Methylatropine
C18H26NO3+ (304.19125859999997)
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
C18H26NO3+ (304.19125859999997)
6-Methyl-9-(2-(2-methyl-5-pyridyl)ethyl)-1,2,3,4-tetrahydrocarbazole
2-Acetylamino-4-methyl-pentanoic acid (1-formyl-2-phenyl-ethyl)-amide
C17H24N2O3 (304.17868339999995)
Ethylaminobenzylmethylcarbonyl group
C17H24N2O3 (304.17868339999995)
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
1,2,3,4-Tetrahydro-1,1,4,4-tetramethyl-6-[(Z)-alpha-methylstyryl]naphthalene
[(2R)-3-carboxy-2-[(3S)-5-carboxy-3-methylpentanoyl]oxypropyl]-trimethylazanium
[3-Carboxy-1-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxyoctanoyloxy)propyl]-trimethylazanium
[(2R)-3-carboxy-2-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-carboxy-4-methylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(5-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(7-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(4-hydroxyoctanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(5-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-hydroxy-2-propylpentanoyl)oxypropyl]-trimethylazanium
[3-Carboxy-2-(4-carboxyhexanoyloxy)propyl]-trimethylazanium
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.
Indolo(2,3:3,4)pyrido(1,2-b)(2,7)naphthyridinium, 5,7,8,13,13b,14-hexahydro-5,6-dimethyl-, (5S,6R,13bS)-
(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.
(3aS,3bS,5aR,7S,9aS,9bS,11aS)-2-amino-7-hydroxy-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,7,8,9,9b,11-dodecahydronaphtho[2,1-e]indol-10-one
D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018756 - GABA Antagonists D018377 - Neurotransmitter Agents > D000081227 - Neurosteroids
3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester
C18H26NO3+ (304.19125859999997)
(2S)-3-methyl-2-[[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]amino]pentanoic acid
C17H24N2O3 (304.17868339999995)
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
[(1S)-3-carboxy-1-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
[3-Carboxy-2-(6-carboxyhexanoyloxy)propyl]-trimethylazanium
a-Aleuritic Acid
Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1]. Aleuritic acid ((±)-erythro-Aleuritic acid) is a major ingredient in Croton crassifolius Geisel. and used in the perfumery industry[1].
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
C16H24N4O2 (304.18991639999996)
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
(4e,13e,19e)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
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"}
3,3'-bis(indolylmethyl)dimethylammonium
{"Ingredient_id": "HBIN007159","Ingredient_name": "3,3'-bis(indolylmethyl)dimethylammonium","Alias": "NA","Ingredient_formula": "C20H22N3(+)","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8362","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"}
aleuritic acid
{"Ingredient_id": "HBIN015116","Ingredient_name": "aleuritic acid","Alias": "aleuriticacid","Ingredient_formula": "C16H32O5","Ingredient_Smile": "C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O","Ingredient_weight": "304.42 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30574;887","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "7269318","DrugBank_id": "NA"}
(7-hydroxy-4-isopropyl-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methyl 2-methylpropanoate
(4s,4as,11ar)-4-[(3z)-5-hydroxypent-3-en-1-yl]-7-methyl-11-methylidene-1h,4h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-3-one
(4s,4ar,5s,8ar)-3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(4r)-6-{2-[(1s,2s,6r,8ar)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one
5-(4-methoxy-2,6,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)penta-2,4-dienoic acid
1-hydroperoxy-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-9-ol
(1z,5s,8as,12as)-5-ethenyl-5,8a,12,12-tetramethyl-6,7,9,10,11,12a-hexahydro-4-benzoxecine-3,8-dione
(3r)-8-[(2r,3s)-3-heptyloxiran-2-yl]octa-4,6-diyn-3-yl acetate
(1r,2r,3s,4s)-1-ethenyl-3-(1h-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
[(1r,4s)-7-hydroxy-4-isopropyl-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl 2-methylpropanoate
(1s,4s,5r,9s,10r,13r)-5,9-dimethyl-14-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
(1r,2r,7r,8ar)-1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl 2-methylpropanoate
(1r,4as,9r,10ar)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,9-diol
(1s,9s,10r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-4-en-6-one
(8e,10r)-10-hydroxyheptadec-8-en-4,6-diyn-1-yl acetate
(1r,2s,4r,7r,8r)-3,3,7,9-tetramethyl-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl 2-methylpropanoate
(2r,4s,7s)-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
(1r,5e,8r,11s)-6-methyl-11-[(2s)-6-methylhept-5-en-2-yl]-9-oxabicyclo[6.2.1]undec-5-ene-2,10-dione
5-ethenyl-5,8a,12,12-tetramethyl-6,7,9,10,11,12a-hexahydro-4-benzoxecine-3,8-dione
methyl (11e,13e)-4-oxooctadeca-9,11,13,15-tetraenoate
[(1s,2s,5s,6s,8r)-2,6,8-trimethyl-9-oxotricyclo[6.3.0.0¹,⁵]undec-10-en-6-yl]methyl 2-methylpropanoate
1-[(1r,4r,6r,10s,12r)-4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-yl]pentane-1,4-dione
(1r,4ar,5r,8ar)-5-[2-(furan-3-yl)ethyl]-1-(hydroxymethyl)-1-methyl-6-methylidene-hexahydro-2h-naphthalen-4a-ol
(2r,3r,4s,7r)-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
(2e,4e)-5-[(1r,4r,4as,6s,8r,8ar)-4-methoxy-2,6,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
(1r,9r,10r,12r,14s)-12-hydroxy-14-[(1s)-1-hydroxyethyl]-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one
C17H24N2O3 (304.17868339999995)
(1s,9s,10s,12s,14r)-12-hydroxy-14-[(1s)-1-hydroxyethyl]-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one
C17H24N2O3 (304.17868339999995)
7-hydroxy-4,16,16-trimethyl-9-methylidene-5-oxatricyclo[10.3.1.0⁴,⁶]hexadec-1(15)-en-2-one
(3as,11ar)-6-methyl-3-methylidene-10-[(2-methylpropoxy)methyl]-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
n-{4-[(1,3-dihydroxy-2-methylpropylidene)amino]butyl}-3-phenylprop-2-enimidic acid
C17H24N2O3 (304.17868339999995)
1-{4,12-dimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]dodecan-12-yl}pentane-1,4-dione
3,4a,5-trimethyl-4h,5h,6h,7h,8h,8ah,9h-naphtho[2,3-b]furan-4-yl 2-methylpropanoate
(1s,4ar,5r,8as)-1,4a-dimethyl-5-[(2e)-3-methyl-4-oxobut-2-en-1-yl]-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
5-[2-(furan-3-yl)ethyl]-1-(hydroxymethyl)-1-methyl-6-methylidene-hexahydro-2h-naphthalen-4a-ol
6-acetyl-11-ethenyl-6,11,13-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]tridecan-3-one
(4z,13e,19z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
methyl 8-[(1s,5z)-4-oxo-5-[(2z)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoate
1,4a-dimethyl-5-(3-methyl-4-oxobut-2-en-1-yl)-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
(3s,8s)-8-hydroxyheptadec-1-en-4,6-diyn-3-yl acetate
methyl 8-[(1s,5e)-4-oxo-5-[(2e)-pent-2-en-1-ylidene]cyclopent-2-en-1-yl]octanoate
14-hydroxy-5,14-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-11-ene-5-carboxylic acid
(1r,2r,8ar)-1,8a-dimethyl-6-oxo-7-(propan-2-ylidene)-2,3,4,8-tetrahydro-1h-naphthalen-2-yl 2-methylpropanoate
7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1,9-diol
(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
5,12-dimethyl-14-oxapentacyclo[11.2.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-6-ene-10,13-diol
(1r,9r,10s,13s,14s)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-4-en-6-one
(2s,3r,4r,7s)-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
(1as,3ar,4s,7ar,7br,9as)-4-hydroxy-9a-isopropyl-4,7a-dimethyl-1ah,3ah,5h,6h,7h,7bh,8h,9h-phenanthro[1,2-b]oxiren-3-one
(5s)-5-methoxy-5-[(2z,5z,8z)-tetradeca-2,5,8-trien-1-yl]furan-2-one
methyl 8-[(5z)-4-oxo-5-(pent-2-en-1-ylidene)cyclopent-2-en-1-yl]octanoate
(1s,2s,5r,8r,10s,11s,12r,13s)-5,12-dimethyl-14-oxapentacyclo[11.2.2.1⁵,⁸.0¹,¹¹.0²,⁸]octadec-6-ene-10,13-diol
4-hydroxy-9a-isopropyl-4,7a-dimethyl-1ah,3ah,5h,6h,7h,7bh,8h,9h-phenanthro[1,2-b]oxiren-3-one
8-[(2r,3s)-3-heptyloxiran-2-yl]octa-4,6-diyn-3-yl acetate
6-[2-(2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl]-4-hydroxyoxan-2-one
(1s,13r,14r)-13,14-dimethyl-3,13,17-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8,15,17,19-heptaen-13-ium
(5z)-6-methyl-11-(6-methylhept-5-en-2-yl)-9-oxabicyclo[6.2.1]undec-5-ene-2,10-dione
3,3,7,9-tetramethyl-11-oxotricyclo[5.4.0.0²,⁸]undec-9-en-4-yl 2-methylpropanoate
9-ethenyl-10-isocyano-6,6,9-trimethyl-5h,6ah,7h,8h,10h,10ah-indeno[2,1-b]indole
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
(2r,3r,4r,7s)-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
1-ethenyl-3-(1h-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
methyl 2-[(1r,4s,5s,6s,9s)-4-acetyl-5,9-dimethyltricyclo[7.2.1.0¹,⁶]dodec-10-en-5-yl]acetate
(1s,4r,5r,9r,13r,14r)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-10-en-6-one
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-4-en-6-one
(1r,6r,9s,10r,12r)-12-ethenyl-9-hydroxy-1,7,7,12-tetramethyl-5-oxatricyclo[8.4.0.0²,⁶]tetradec-2-en-4-one
(1s,9s,10r,13r,14s)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadec-4-en-6-one
1,8a-dimethyl-6-oxo-7-(prop-1-en-2-yl)-1,2,3,4,7,8-hexahydronaphthalen-2-yl 2-methylpropanoate
5,9-dimethyl-14-oxotetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
n-[(5r)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-yl]ethanimidic acid
methyl (9z,11e,13e,15z)-4-oxooctadeca-9,11,13,15-tetraenoate
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
5-[(1r,4s,4as,6s,8r,8ar)-4-methoxy-2,6,8-trimethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]penta-2,4-dienoic acid
2,5-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
6-methyl-3-methylidene-10-[(2-methylpropoxy)methyl]-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
3-[1-methyl-2-(3-methyl-4-oxobut-2-en-1-yl)-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl]propanoic acid
n-[(1r,4s,5s,6s,8s,9s)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-yl]ethanimidic acid
(1s,6r,10r,12r)-12-ethenyl-1-(hydroxymethyl)-7,7,12-trimethyl-5-oxatricyclo[8.4.0.0²,⁶]tetradec-2-en-4-one
(1r,2r,4s,5s,9s,10s,13r)-2,5-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecan-15-one
3-[(1r,2r,6r)-1-methyl-2-[(2e)-3-methyl-4-oxobut-2-en-1-yl]-3-methylidene-6-(prop-1-en-2-yl)cyclohexyl]propanoic acid
(1s,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,6s,7s,12s)-7-hydroxy-4,16,16-trimethyl-9-methylidene-5-oxatricyclo[10.3.1.0⁴,⁶]hexadec-1(15)-en-2-one
6,10-dimethyl-3-methylidene-4-(sec-butoxy)-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(5s)-5-methoxy-5-(tetradeca-2,5,8-trien-1-yl)furan-2-one
methyl (1s,4as,5s,8ar)-1,4a-dimethyl-6-methylidene-5-[(1e)-3-oxobut-1-en-1-yl]-hexahydro-2h-naphthalene-1-carboxylate
(1s,3s,4s)-1-ethenyl-3-(1h-indol-3-yl)-2-isocyano-1-methyl-4-(prop-1-en-2-yl)cyclohexane
2-[(1e)-hept-1-en-1-yl]-3-(hydroxymethyl)-5-(3-methylbut-2-en-1-yl)benzene-1,4-diol
(6r,7r,11s)-6,7-dihydroxy-4,15,15-trimethyl-8-methylidenebicyclo[9.3.1]pentadeca-1(14),4-dien-2-one
4-{2-[(1s,2r,4as,7r,8ar)-7-hydroxy-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-5h-furan-2-one
(4s,4as,11ar)-4-[(3e)-5-hydroxypent-3-en-1-yl]-7-methyl-11-methylidene-1h,4h,4ah,5h,6h,9h,10h,11ah-cyclonona[c]pyran-3-one
(2e)-n-(4-{[(2s)-1,3-dihydroxy-2-methylpropylidene]amino}butyl)-3-phenylprop-2-enimidic acid
C17H24N2O3 (304.17868339999995)
2-(hept-1-en-1-yl)-3-(hydroxymethyl)-5-(3-methylbut-2-en-1-yl)benzene-1,4-diol
(3ar,4r,11ar)-4-[(2s)-butan-2-yloxy]-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2-one
(2r,3r,4s,7s)-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
(2r,3r,4r,7r)-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
12-hydroxy-14-(1-hydroxyethyl)-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadeca-2,4-dien-6-one
C17H24N2O3 (304.17868339999995)