Exact Mass: 298.214398
Exact Mass Matches: 298.214398
Found 500 metabolites which its exact mass value is equals to given mass value 298.214398,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pereirin
Geissoschizoline is an indole alkaloid that is (16alpha)-curan substituted by a hydroxy group at position 17. It has a role as an antiplasmodial drug and a metabolite. It is an indole alkaloid, a primary alcohol and an organic heteropentacyclic compound. An indole alkaloid that is (16alpha)-curan substituted by a hydroxy group at position 17.
Ricinoleic acid
Ricinoleic acid is found in corn. Ricinoleic acid occurs in castor oil and other oils e.g. grape and ergot (Claviceps purpurea) Ricinoleic acid (12-hydroxy-9-cis-octadecenoic acid) is an unsaturated omega-9 fatty acid that naturally occurs in mature Castor plant (Ricinus communis L., Euphorbiaceae) seeds or in sclerotium of ergot (Claviceps purpurea Tul., Clavicipitaceae). About 90\\% of the fatty acid content in castor oil is the triglyceride formed from ricinoleic acid. Ricinoleic acid is manufactured for industries by saponification or fractional distillation of hydrolyzed castor oil. The zinc salt is used in personal care products, such as deodorants Ricinoleic acid is a (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. It is a conjugate acid of a ricinoleate. Ricinoleic acid is a natural product found in Cephalocroton cordofanus, Crotalaria retusa, and other organisms with data available. See also: Polyglyceryl-6 polyricinoleate (monomer of); Polyglyceryl-4 polyricinoleate (monomer of); Polyglyceryl-5 polyricinoleate (monomer of) ... View More ... CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5632; ORIGINAL_PRECURSOR_SCAN_NO 5630 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5657; ORIGINAL_PRECURSOR_SCAN_NO 5655 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5730; ORIGINAL_PRECURSOR_SCAN_NO 5728 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5665; ORIGINAL_PRECURSOR_SCAN_NO 5664 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5630; ORIGINAL_PRECURSOR_SCAN_NO 5629 CONFIDENCE standard compound; INTERNAL_ID 219; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5665; ORIGINAL_PRECURSOR_SCAN_NO 5662 Occurs in castor oil and other oils e.g. grape and ergot (Claviceps purpurea)
Norethindrone
A synthetic progestational hormone with actions similar to those of progesterone but functioning as a more potent inhibitor of ovulation. It has weak estrogenic and androgenic properties. The hormone has been used in treating amenorrhea, functional uterine bleeding, endometriosis, and for contraception. [PubChem] CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4789; ORIGINAL_PRECURSOR_SCAN_NO 4788 INTERNAL_ID 429; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9046; ORIGINAL_PRECURSOR_SCAN_NO 9044 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9061; ORIGINAL_PRECURSOR_SCAN_NO 9058 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9106; ORIGINAL_PRECURSOR_SCAN_NO 9102 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9046; ORIGINAL_PRECURSOR_SCAN_NO 9044 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9063; ORIGINAL_PRECURSOR_SCAN_NO 9058 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4892; ORIGINAL_PRECURSOR_SCAN_NO 4890 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4826; ORIGINAL_PRECURSOR_SCAN_NO 4825 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4801; ORIGINAL_PRECURSOR_SCAN_NO 4798 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4810; ORIGINAL_PRECURSOR_SCAN_NO 4809 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9085; ORIGINAL_PRECURSOR_SCAN_NO 9082 CONFIDENCE standard compound; INTERNAL_ID 429; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4809; ORIGINAL_PRECURSOR_SCAN_NO 4806 G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DC - Estren derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 2798 CONFIDENCE standard compound; INTERNAL_ID 4150
9,10-Epoxystearic acid
9,10-epoxystearate, also known as 18:0(9ep) or 9,10-epoxystearic acid, 14c-acid, belongs to lineolic acids and derivatives class of compounds. Those are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. Thus, 9,10-epoxystearate is considered to be an octadecanoid lipid molecule. 9,10-epoxystearate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-epoxystearate can be found in a number of food items such as garden cress, silver linden, european chestnut, and soft-necked garlic, which makes 9,10-epoxystearate a potential biomarker for the consumption of these food products.
Norethynodrel
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents Same as: D05207
18-Hydroxyoleic acid
An omega-hydroxy fatty acid that is 18-hydroxyoctadecanoic acid which has been dehydrogenated to introduce a trans double bond at the 9-10 position.
Minaprine
Minaprine is a psychotropic drug which has proved to be effective in the treatment of various depressive states. Like most antidepressants minaprine antagonizes behavioral despair. Minaprine is an amino-phenylpyridazine antidepressant reported to be relatively free of cardiotoxicity, drowsiness, and weight gain. D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants
9-Oxooctadecanoic acid
9-Oxooctadecanoic acid is found in milk and milk products. 9-Oxooctadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 9-Oxooctadecanoic acid is found in milk and milk products.
3-(8,11,14-Pentadecatrienyl)phenol
3-(8,11,14-Pentadecatrienyl)phenol is found in nuts. 3-(8,11,14-Pentadecatrienyl)phenol is a constituent of lipids of Anacardium occidentale (cashew nut). Constituent of lipids of Anacardium occidentale (cashew nut). 3-(8,11,14-Pentadecatrienyl)phenol is found in nuts.
Juvocimene 2
Juvocimene 2 is found in herbs and spices. Juvocimene 2 is a constituent of the oil of Ocimum basilicum (sweet basil). Constituent of the oil of Ocimum basilicum (sweet basil). Juvocimene 2 is found in sweet basil and herbs and spices.
10-Oxooctadecanoic acid
10-Oxooctadecanoic acid is found in milk and milk products. 10-Oxooctadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 10-Oxooctadecanoic acid is found in milk and milk products.
5-Oxooctadecanoic acid
5-Oxooctadecanoic acid is found in milk and milk products. 5-Oxooctadecanoic acid is a trace constituent of milk fat. Trace constituent of milk fat. 5-Oxooctadecanoic acid is found in milk and milk products.
5-Hexyltetrahydro-2-furanoctanoic acid
5-Hexyltetrahydro-2-furanoctanoic acid is found in fats and oils. 5-Hexyltetrahydro-2-furanoctanoic acid is present in heat-treated soybean oi Present in heat-treated soybean oil. 5-Hexyltetrahydro-2-furanoctanoic acid is found in fats and oils and pulses.
11-Oxooctadecanoic acid
11-Oxooctadecanoic acid is found in milk and milk products. 11-Oxooctadecanoic acid is a trace constituent of milk fa Trace constituent of milk fat. 11-Oxooctadecanoic acid is found in milk and milk products.
3-Oxooctadecanoic acid
3-Oxo-Octadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-Octadecanoic acid is converted from Malonic acid via the enzyme, beta-ketoacyl -acyl-carrier-protein synthase II. (E.C: 2.3.1.179). In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. [HMDB] 3-Oxo-Octadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, 3-Oxo-Octadecanoic acid is converted from Malonic acid via the enzyme, beta-ketoacyl -acyl-carrier-protein synthase II. (E.C: 2.3.1.179). In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
4-Oxoretinal
4-Oxoretinal is a predominant retinoids during morphogenesis in mouse skin in vivo. Topical 4-oxoretinal and 4-oxoretinol promoted significant epidermal hyperplasia and metaplasia in mouse tail. They induced a moderate response for epidermal inflammation, compared with retinal, whereas neither 4-oxoretinal nor 4-oxoretinol prevented menadione-induced epidermal lipid peroxidation, unlike retinal and retinol. As analyzed by quantitative PCR, 4-oxoretinal and 4-oxoretinol did not reproduce the significant increased expression of genes coding for keratin 4, amphiregulin, heparin-EGF and CYP26A1, that did induce retinal and retinol. However, both retinal and 4-oxoretinal significantly inhibited the lipopolysaccharide-induced maturation of human dendritic cells in vitro. As analyzed in vivo and in vitro, 4-oxoretinal and 4-oxoretinol were not converted into retinoic acid. We conclude that 4-oxoretinal and 4-oxoretinol exert a moderate direct retinoid-like activity in vivo, thus confirming previous in vitro studies in amphibians showing 4-oxometabolites of vitamin A as bioactive agents rather than inactive catabolites. [HMDB] 4-Oxoretinal is a predominant retinoids during morphogenesis in mouse skin in vivo. Topical 4-oxoretinal and 4-oxoretinol promoted significant epidermal hyperplasia and metaplasia in mouse tail. They induced a moderate response for epidermal inflammation, compared with retinal, whereas neither 4-oxoretinal nor 4-oxoretinol prevented menadione-induced epidermal lipid peroxidation, unlike retinal and retinol. As analyzed by quantitative PCR, 4-oxoretinal and 4-oxoretinol did not reproduce the significant increased expression of genes coding for keratin 4, amphiregulin, heparin-EGF and CYP26A1, that did induce retinal and retinol. However, both retinal and 4-oxoretinal significantly inhibited the lipopolysaccharide-induced maturation of human dendritic cells in vitro. As analyzed in vivo and in vitro, 4-oxoretinal and 4-oxoretinol were not converted into retinoic acid. We conclude that 4-oxoretinal and 4-oxoretinol exert a moderate direct retinoid-like activity in vivo, thus confirming previous in vitro studies in amphibians showing 4-oxometabolites of vitamin A as bioactive agents rather than inactive catabolites.
all-trans-3,4-Didehydroretinoate
This compound belongs to the family of Retinoids. These are compounds that is related to vitamin A, especially retinol. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Diphthamide
Diphthamide is a modified histidine amino acid found in eukaryotic elongation factor 2 (eEF-2). It is usually found at position H715 in mammalian eEF2 (H699 in yeast). This residue is modified by the protein encoded by the OVCA1 gene (homolog of DPH1 in mice). DPH1 knockout mice are inviable while heterozygotes develop diverse types of carcinomas and sarcomas. In humans, OVCA1 is frequently found mutated in ovarian cancer. (Wikipedia)
9'-desmethylgranisetron
9-desmethylgranisetron is a metabolite of granisetron. Granisetron is a serotonin 5-HT3 receptor antagonist used as an antiemetic to treat nausea and vomiting following chemotherapy. Its main effect is to reduce the activity of the vagus nerve, which is a nerve that activates the vomiting center in the medulla oblongata. It does not have much effect on vomiting due to motion sickness. This drug does not have any effect on dopamine receptors or muscarinic receptors. (Wikipedia)
17-Dihydroexemestane
Norethynodrel
Microstegiol
Microstegiol is a natural product found in Salvia lanigera, Salvia microstegia, and other organisms with data available.
[1R-(1alpha,4abeta,7beta,8alpha,8aalpha)]-Decahydro-7-(1-hydroxy-1-methylethyl)-1,4a-dimethyl-1,8-naphthalenediol 1-acetate
N-(4-Fluorophenyl)-1-phenethylpiperidin-4-amine
C19H23FN2 (298.18451699999997)
16-Descarbomethoxy-dihydrovobasin|2,7,19,20-tetrahydro-17-nor-vobasan-3-one
(4bS-trans)-4b,5,6,7,8,8a-Hexahydro-4b,8,8-trimethyl-2-(1-methylethyl)-3,9-phenanthrendion|taxodione
9-hydroxy-cis-11-octadecanoic acid|9-hydroxy-cis-11-octadecenoic acid
17alpha-pregna-4,20-dien-3-one|pregn-4,20-diene-3-one|pregna-4,20(21)-dien-3-one|pregna-4,20-dien-3-one|pregna-4,20-diene-3-one|Pregnadien-(4.20)-on-(3)|pregnadien-(4.20)-one-(3)
(-)-acaranoic acid|(-)-Acaranosaeure|Acaranoic acid
(9Xi)-10,11-Dihydro-1,8-seco-cinchonan-9-ol|dihydrocinchonicinol/dihydrocinchonidicinol mixture
abieta-5,8,11,13-tetraene-18-oic acid|centdaroic acid
Podocarpa-1,8,11,13-tetraen-3-one, 12-hydroxy-13-isopropyl-
5alpha-Pregna-1,20-dien-3-on|5alpha-pregna-1,20-dien-3-one|Pregna-1,20-dien-2-one|pregna-1,20-dien-3-one
2-(1,2,3,4,6,7,12,12b-Octahydroindolo[2,3-a]quinolizin-2-yl)-1-butanol #
18-norabieta-3,8,11,13-tetraene-3-oic acid|triptobenzene D
(13(15))-10-Oxo-4,10-seco-2,4,13(15),17-spatatetraen-12-al|(13Z)-10-oxo-4,10-secospata-2,4,13(15),17-tetraen-12-al
8,11,13-cleistanthatrien-3,7-dione|8,11,13-Cleistanthatriene-3,7-dione
2,3-dihydroxypropyl 9-[(1R)-cyclopent-2-en-1-yl]nonanoate|anthelminthicin B
3,4,18beta-cyclopropa-ent-abieta-8(14),13(15)-dien-16,12-olide
(+)-(10R*)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide
4-Hydroxy-5-ethyl-5-(2-hydroxy-2-ethyl-4-methyl-5-propylcyclopentyl)-4,5-dihydrofuran-2(3H)-one
(+)-(4S)-2-[(S)-1-hydroxydodecyl]-4-hydroxy-4-methylbutenolide
15,16-epoxylabda-5,8,13(16),14-tetraen-7-one|leoleorin B
(+)-rubrenolide|(5R,3S,2R)-5-(dec-9-enyl)-3-(2,3-dihydroxypropyl)dihydrofuran-2(3H)-one|Rubrenolide
8,9,11,14-didehydrovouacapen-5alpha-ol|8,9,11,14-Tetradehydro-5alpha-5-Vouacapenol
1beta,4beta-dihydroxy-6beta-acetoxy-eudesmane|1beta,4beta-dihydroxy-6beta-acetoxyeudesmane|6beta-acetoxy-1beta,4beta-dihydroxyeudesmane|6beta-acetoxy-1beta,4beta-hydroxyeudesmane
methyl (3R*,6S*,Z)-4,6-diethyl-3,6-epidioxydodeca-4-enoate
(R)-2-Isopropyl-8,8,8a-trimethyl-6,7,8,8a-tetrahydrophenanthrene-3,4-diol
Norethindrone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DC - Estren derivatives C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents CONFIDENCE standard compound; INTERNAL_ID 8723
minaprine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants
N-(9-azabicyclo[3.3.1]nonan-3-yl)-1-methylindazole-3-carboxamide
ricinelaidic acid
A straight-chain, 18:1, long-chain fatty acid having a trans- double bond at position 9 and an R-oriented hydroxy group at position 12.
2-Hydroxyoleic acid
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
Minerval
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor
4-Oxoretinal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-3-carboxylic acid
tert-Butyl 3-(morpholine-4-carbonyl)piperidine-1-carboxylate
Benzestrol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
1-BOC-3-[(4-METHYL-PIPERAZIN-1-YLETHYL)-AMINO]-AZETIDINE
C15H30N4O2 (298.23686399999997)
(4S)-4α-[(Z)-2-(3-Furyl)vinyl]-4a,5,6,7,8,8aβ-hexahydro-3,4aα,8,8-tetramethylnaphthalen-1(4H)-one
5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
(8S,9S,10R,14S)-13-Ethyl-11-methylene-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione
tert-Butyl 4-(3-(hydroxymethyl)piperidin-1-yl)piperidine-1-carboxylate
Di-tert-butyl-2,6-diazaspiro[3.3]heptan-2,6-dicarboxylat
(2S)-N-[2-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]acetyl]pyrrolidine-2-carboxamide
3,5-Dimethyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole
formaldehyde,hexane-1,6-diamine,4-methylphenol,oxirane
(3AR,7AS)-2-TERT-BUTYL7A-ETHYLHEXAHYDRO-1H-PYRROLO[3,4-C]PYRIDINE-2,7A(3H)-DICARBOXYLATE
(8R,9S,10R,13S,14S)-17-hydroxy-10,13,17-trimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one
ethyl [[[(cyclohexylamino)carbonyl]imino](dimethylamino)methyl]methylcarbamate
13-Ethyl-3-methoxygona-1,3,5(10),8-tetraen-17beta-ol
3-Hydroxy-1,2-dimethylestra-1,3,5(10)-trien-17-one
(1R,4R)-N,N-Bis-(4-Methyl-pyriMidin-2-yl)-cyclohexane-1,4-diaMine
4-Methyl-2-pentanone, O, O′-(methyl vinyl silylene) dioxime
C15H30N2O2Si (298.20764399999996)
2-(2,5-dimethyl-1H-pyrrol-1-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
4-[2-(4-hydroxy-3,5-dimethylphenyl)butan-2-yl]-2,6-dimethylphenol
Atamestane
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 D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D004791 - Enzyme Inhibitors
Infecundin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
Methestrol
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen
1-Methyl-N-(8-methyl-8-azabicyclo(3.2.1)oct-3-yl)-1H-indazole-3-carboxamide
secoaggregatalactone A
An enoate ester obtained by the formal condensation (2E)-2-[(1S)-1-hydroxy-2-oxopropyl]tridec-2-enoic acid with methanol. Isolated from Lindera aggregata, it exhibits apoptotic activity against human hepatoma hep G2 cells.
1,2,3,4,4a,5,6,11,12,12a-Decahydro-8-methoxy-12a-methyl-1-chrysenol
3-Methyl-19-nor-17alpha-pregna-1,3,5(10)-trien-17-ol
2-(3-Carboxyamido-3-(trimethylammonio)propyl)histidine
17alpha-Ethinyl-19-nortestosterone
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
2-[4-amino-4-oxo-3-(trimethylammonio)butyl]-L-histidine
[1-amino-4-[5-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl]-1-oxobutan-2-yl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-nona-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E)-nona-2,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-nona-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,6E)-nona-3,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E)-nona-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-nona-3,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,7E)-nona-3,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,7E)-nona-2,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,6E)-nona-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,4E)-nona-2,4-dienoyl]oxypropyl]-trimethylazanium
[(3E,5E)-2-(carboxymethyl)-2-hydroxydodeca-3,5-dienyl]-trimethylazanium
C17H32NO3+ (298.23820620000004)
(13S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
(10R,13S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
rel-(+)-(10R)-cembra-1E,3E,7E,11Z,15-pentaen-20,10-olide
A cembrane diterpenoid isolated from the leaves of Croton gratissimus.
rel-(+)-(10R)-cembra-1Z,3Z,7E,11Z,15-pentaen-20,10-olide
A cembrane diterpenoid isolated from the leaves of Croton gratissimus.
Triptobenzene D
An abietane diterpenoid with formula C20H26O2, originally isolated from Tripterygium wilfordii.
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt
3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one
(8R,9R,13S,14R,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
(2S)-3-{2-[(3S)-4-amino-4-oxo-3-(trimethylazaniumyl)butyl]-1H-imidazol-4-yl}-2-azaniumylpropanoate
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(5S)-5-methyl-4-oxoheptan-2-yl]cyclopropyl]butanoic acid
[(1S,9S,10S,11R,12S,17S)-12-ethyl-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6-trien-10-yl]methanol
(2Z)-1-[(2S,3R)-[2,3-bipiperidin]-1-yl]-3-phenylprop-2-en-1-one
3,4-Didehydroretinoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
18-fluoro-9Z,12Z-octadecadienoic acid
C18H31FO2 (298.23079579999995)
3-Methoxy-D-homoestra-1,3,5(10),8-tetraen-17abeta-ol
3-Methoxy-5,19-cyclo-5,10-secoandrosta-1(10),2,4-trien-17-one
all-trans-3,4-Didehydroretinoic acid
A retinoid obtained by 3,4-desaturation of beta-ionone ring of all-trans-retinoic acid
all-trans-4-oxoretinal
A retinoid that is all-trans-retinal carrying an oxo substituent at position 4 on the cyclohexenyl ring.
7-isopropyl-6-methoxy-1,1,4a-trimethyl-2,3,4,10a-tetrahydrophenanthrene
(1s,8z,13r,17r)-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3(7),4,8,15-tetraen-14-one
2-[(1r,9r,12r,19r)-8,16-diazapentacyclo[10.6.1.0¹,⁹.0²,⁷.0¹⁶,¹⁹]nonadeca-2,4,6-trien-12-yl]ethanol
(9e)-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3(7),4,9,15-tetraen-14-one
(9s)-6-(hydroxymethyl)-9-(2-hydroxypropan-2-yl)-2-methylidenecyclodecyl acetate
(4as)-6-hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
(1s,9e,13r,17r)-4,9,13,17-tetramethyl-6-oxatricyclo[11.4.0.0³,⁷]heptadeca-3(7),4,9,15-tetraen-14-one
2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-1,4-dione
(4bs)-4-hydroxy-2-isopropyl-4b,8,8-trimethyl-6,7-dihydro-5h-phenanthren-3-one
6-hydroxy-7-isopropyl-1,1,4a-trimethyl-3,4-dihydro-2h-phenanthren-9-one
(1r,2s,5r,7s,8r,17r)-2,7,14-trimethyl-16-oxapentacyclo[9.7.0.0²,⁸.0⁵,⁷.0¹³,¹⁷]octadeca-11,13-dien-15-one
(6s,8as,12ar,12br)-6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphene
(4bs,8as)-2-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthrene-1,4-dione
(1s,4as)-1,4a-dimethyl-7-(prop-1-en-2-yl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid
(5s,6e,8r,9r,13s,14r)-5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradec-6-en-2-one
(4ar,11br)-4,4,7,11b-tetramethyl-1h,2h,3h,5h,6h-phenanthro[3,2-b]furan-4a-ol
(4as,10as)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-10,10a-dihydro-9h-phenanthren-4-one
(4as,10ar)-7-hydroxy-8-isopropyl-1,1,4a-trimethyl-10,10a-dihydro-9h-phenanthren-2-one
(1s,2s,5s,6r,7r,10r)-10-methyl-5-[(2z)-6-methylhepta-2,5-dien-2-yl]-8-oxotricyclo[5.2.1.0²,⁶]dec-3-ene-2-carbaldehyde
(1s,4s)-3-undecylcyclohexa-2,5-diene-1,2,4,5-tetrol
6-hydroxy-8-isopropyl-1,1,4a-trimethyl-10,10a-dihydro-9h-phenanthren-2-one
(1s,2s,5r,6s,7r,10s)-10-methyl-5-[(2z)-6-methylhepta-2,5-dien-2-yl]-8-oxotricyclo[5.2.1.0²,⁶]dec-3-ene-2-carbaldehyde
2-{3-ethyl-1h,2h,3h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl}ethanol
6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphene
(4r,15s)-15-ethyl-1,11-diazatetracyclo[13.3.1.0⁴,¹².0⁵,¹⁰]nonadeca-5,7,9,11-tetraen-4-ol
(1r,3as,3bs,9ar,9bs,11ar)-1-ethenyl-9a,11a-dimethyl-1h,2h,3h,3ah,3bh,4h,5h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
methyl (1s,5r,6s)-4-methyl-5-(3-methylbut-2-en-1-yl)-6-phenylcyclohex-3-ene-1-carboxylate
(4as,10ar)-8-ethyl-1,1,4a,7-tetramethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
6-dehydrohinokiol
{"Ingredient_id": "HBIN012303","Ingredient_name": "6-dehydrohinokiol","Alias": "NA","Ingredient_formula": "C21H30O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "4928","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
8,11,13,15-abietatetraen-19-oicacid
{"Ingredient_id": "HBIN013515","Ingredient_name": "8,11,13,15-abietatetraen-19-oicacid","Alias": "NA","Ingredient_formula": "C20H26O2","Ingredient_Smile": "CC(=C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}