Exact Mass: 284.1808
Exact Mass Matches: 284.1808
Found 500 metabolites which its exact mass value is equals to given mass value 284.1808,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Retinal
A carotenoid constituent of visual pigments. It is the oxidized form of retinol which functions as the active component of the visual cycle. It is bound to the protein opsin forming the complex rhodopsin. When stimulated by visible light, the retinal component of the rhodopsin complex undergoes isomerization at the 11-position of the double bond to the cis-form; this is reversed in "dark" reactions to return to the native trans-configuration. [HMDB]. Retinal is found in many foods, some of which are flaxseed, pepper (c. baccatum), climbing bean, and other soy product. Retinal is a carotenoid constituent of visual pigments. It is the oxidized form of retinol which functions as the active component of the visual cycle. It is bound to the protein opsin forming the complex rhodopsin. When stimulated by visible light, the retinal component of the rhodopsin complex undergoes isomerization at the 11-position of the double bond to the cis-form; this is reversed in "dark" reactions to return to the native trans-configuration. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids CONFIDENCE standard compound; INTERNAL_ID 142
Boldione
Boldione is a direct precursor (prohormone) to the anabolic steroid boldenone (1,4-androstadiene-17beta-ol-3-one). It is advertised as a highly anabolic/androgenic compound promoting muscularity, enhancing strength and overall physical performance, and is available on the Internet and in health stores. Conflicting findings regarding the boldenone content of bovine faeces suggest it may be synthesized de novo in emitted faeces. Boldione is the oxidized form of boldenone, an this anabolic steroid is forbidden in EU countries in calves and bulls bred for meat production, and is illegally used as growth promoters, as they improve the growth and feed conversion in food producing animals. (PMID: 16449054, 16308875, 16244993) [HMDB] Boldione is a direct precursor (prohormone) to the anabolic steroid boldenone (1,4-androstadiene-17beta-ol-3-one). It is advertised as a highly anabolic/androgenic compound promoting muscularity, enhancing strength and overall physical performance, and is available on the Internet and in health stores. Conflicting findings regarding the boldenone content of bovine faeces suggest it may be synthesized de novo in emitted faeces. Boldione is the oxidized form of boldenone, an this anabolic steroid is forbidden in EU countries in calves and bulls bred for meat production, and is illegally used as growth promoters, as they improve the growth and feed conversion in food producing animals. (PMID: 16449054, 16308875, 16244993).
Tropisetron
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants > A04AA - Serotonin (5ht3) antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Same as: D02130 Tropisetron (SDZ-ICS-930 free base) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM [1] Target: 5-HT3 receptor in vitro: Tropisetron specifically inhibited both IL-2 gene transcription and IL-2 synthesis in stimulated T cells. tropisetron inhibited both the binding to DNA and the transcriptional activity of NFAT and AP-1. We also observed that tropisetron is a potent inhibitor of PMA plus ionomycin-induced NF-(kappa)B activation but in contrast TNF(alpha)-mediated NF-(kappa)B activation was not affected by this antagonist [2]. Tropisetron prevents the phosphorylation and thus activation of the p38 MAPK, which is involved in post-transcriptional regulation of various cytokines [3]. in vivo: Two different doses of tropisetron (5 and 10 mg/kg) or vehicle were administered intraperitoneally 30 min before pMCAO. Neurological deficit scores, mortality rate and infarct volume were determined 24 h after permanent focal cerebral ischemia [4].
Lynestrenol
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 Same as: D01580
Metribolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
16beta-Estradiol-3-methyl ether
11-cis-Retinaldehyde
11-cis-retinal is a retinal having 2E,4Z,6E,8E-double bond geometry. It has a role as a chromophore, a human metabolite and a mouse metabolite. It is a diterpene derived from the carotenoid vitamin A which functions as the active component of the visual cycle. It is the prosthetic group of rhodopsin. When stimulated by visible light, rhodopsin transforms this cis-isomer of retinal to the trans-isomer (11-trans-retinal). This transformation straightens-out the bend of the retinal molecule and causes a change in the shape of rhodopsin triggering the visual process. A series of energy-requiring enzyme-catalyzed reactions convert the 11-trans-retinal back to the cis-isomer. 11-cis-retinal functions in the retina in the transduction of light into the neural signals necessary for vision. 11-cis-retinal, while attached to opsin in rhodopsin is isomerized to all-trans-retinal by light. This is the event that triggers the nerve impulse to the brain which allows for the perception of light. All-trans-retinal is then released from opsin and reduced to all-trans-retinol. All-trans-retinol is isomerized to 11-cis-retinol in the dark, and then oxidized to 11-cis-retinal. 11-cis-retinal recombines with opsin to re-form rhodopsin. Night blindness or defective vision at low illumination results from a failure to resynthesize 11-cis retinal rapidly. Vitamin A (all-trans retinol) is converted in the retina to the 11-cis-isomer of retinaldehyde or 11-cis-retinal. 11-cis-retinal functions in the retina in the transduction of light into the neural signals necessary for vision. 11-cis-retinal, while attached to opsin in rhodopsin is isomerized to all-trans-retinal by light. This is the event that triggers the nerve impulse to the brain which allows for the perception of light. All-trans-retinal is then released from opsin and reduced to all-trans-retinol. All-trans-retinol is isomerized to 11-cis-retinol in the dark, and then oxidized to 11-cis-retinal. 11-cis-retinal recombines with opsin to re-form rhodopsin. Night blindness or defective vision at low illumination results from a failure to resynthesize 11-cis retinal rapidly. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
9-cis-Retinal
In vivo, 9-cis-retinal is formed through oxidation of 9-cis-retinol by cis-retinol dehydrogenase (cRDH). (PMID:15572038). The generation of retinoic acid from retinol is a two-step reaction, with the rate-limiting step being the oxidation of retinol into the intermediate retinaldehyde. Two classes of. unrelated enzymes have been implicated in the oxidation of retinol, the classical cytosolic medium chain alcohol dehydrogenases and recently identified microsomal members of the short chain alcohol dehydrogenase reductase (SDR) superfamily. Further oxidation of the retinaldehyde to the retinoic acid is believed to be catalyzed by several cytosolic aldehyde dehydrogenases. Retinoids are micronutrients required to maintain and promote health of vertebrates. They act physiologically by participating in the visual cycle, in regulating cell differentiation, in embryonic development (PMID:10893430), in maintaining normal reproduction, and in the immune response (PMID:8882153). In non-ocular tissues, the effects of retinoids within the body are mediated through retinoic acid receptors (RARs) and retinoid X receptors (RXRs), which act to regulate gene expression as ligand-dependent transcription factors. The naturally occurring ligands for these nuclear receptors are thought to be all-trans-retinoic acid for RARs and 9-cis-retinoic acid for RXRs (PMID:10322133). While many details of the molecular actions of the RARs and RXRs in regulating gene transcription are understood (PMID:10418975), tissue-specific synthetic pathway(s) of their ligands has not been adequately defined. Nevertheless, the therapeutic efficacy of retinoids, including 9-cis-retinoic acid, is well established in both tissue culture and animal models of breast cancer (PMID:8825126, PMID:12743994). In vivo, 9-cis-retinal is formed through oxidation of 9-cis-retinol by cis-retinol dehydrogenase (cRDH). (PMID: 15572038). The generation of retinoic acid from retinol is a two-step reaction, with the rate-limiting step being the oxidation of retinol into the intermediate retinaldehyde. Two classes of D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
tropicamide
S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics
Oseltamivir acid
A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza. Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong. CONFIDENCE standard compound; EAWAG_UCHEM_ID 659 CONFIDENCE standard compound; INTERNAL_ID 2067
Alpha-dihydroartemisinin
Artenimol is an active metabolite of artesunate, with anti-malarial activity, and potential insulin sensitivity-improving, anti-inflammatory, immunomodulating and antineoplastic activities. Upon administration of artenimol and the hydrolysis of its active endoperoxide bridge moiety by liberated heme in parasite-infected red blood cells (RBCs), reactive oxygen species (ROS) and carbon-centered radicals form, which damage and kill parasitic organisms. Artenimol may also increase insulin sensitivity and improve insulin resistance. In addition, artenimol induces the 26S proteasome-mediated degradation of the androgen receptor (AR), thereby lowering AR expression, which may prevent androgen-responsive cellular proliferation. It also reduces luteinizing hormone LH) and testosterone levels, and may improve polycystic ovary syndrome (PCOS). In addition, artenimol may modulate the immune system and may inhibit tumor cell proliferation through various apoptotic and non-apoptotic pathways. Alpha-dihydroartemisinin is a metabolite of artemisinin. Artemisinin, also known as Qinghaosu, and its derivatives are a group of drugs that possess the most rapid action of all current drugs against Plasmodium falciparum malaria. Treatments containing an artemisinin derivative (artemisinin-combination therapies, ACTs) are now standard treatment worldwide for P. falciparum malaria. The starting compound artemisinin is isolated from the plant Artemisia annua, sweet wormwood, an herb employed in Chinese traditional medicine. (Wikipedia) P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Dihydroartemisinin is a potent anti-malaria agent. Dihydroartemisinin is a potent anti-malaria agent.
Tropicamide
Tropicamide is only found in individuals that have used or taken this drug. It is one of the muscarinic antagonists with pharmacologic action similar to atropine and used mainly as an ophthalmic parasympatholytic or mydriatic. [PubChem]Tropicamide binds to and blocks the receptors in the muscles of the eye (muscarinic receptor M4). Tropicamide acts by blocking the responses of the iris sphincter muscle to the iris and ciliary muscles to cholinergic stimulation, producing dilation of the pupil and paralysis of the ciliary muscle. S - Sensory organs > S01 - Ophthalmologicals > S01F - Mydriatics and cycloplegics > S01FA - Anticholinergics C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics
delta6-Dehydroferruginol
delta6-Dehydroferruginol is found in fruits. delta6-Dehydroferruginol is isolated from woods of Juniperus communis (juniper Isolated from woods of Juniperus communis (juniper). delta6-Dehydroferruginol is found in fruits.
Vitamin A2
Vitamin A2 is the form, C20H28O, of vitamin A found in the retina and liver of freshwater fishes and certain invertebrates and amphibians; it differs from retinol (vitamin A1) in having one more conjugated double bond and has approximately one-third the biological activity of retinol. Called also retinol2. Constituent of fresh-water fish oils. 3,4-Didehydroretinol is found in fats and oils and fishes. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Melanostatin
Melanostatin (prolyl-leucyl-glycinamide) is a peptide hormone produced in the hypothalamus that inhibits the release of melanocyte-stimulating hormone (MSH). [HMDB] Melanostatin (prolyl-leucyl-glycinamide) is a peptide hormone produced in the hypothalamus that inhibits the release of melanocyte-stimulating hormone (MSH). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
13-cis-Retinal
13-cis-Retinal is a naturally occurring retinoid. Retinoids are vitamin A analogs that have profound biological activities. Several retinoids have been reported to have antiinflammatory activity in certain animal models of arthritis, such as adjuvant-induced and streptococcal cell wall-induced arthritis in rats. Some retinoids also have been shown to possess antiinftammatory activity in man by their ability to modulate inflammatory diseases of the skin. It has been reported, for example, that retinoid treatment can inhibit neutrophil accumulation in cutaneous disorders such as psoriasis. (PMID: 2123476) [HMDB] 13-cis-Retinal is a naturally occurring retinoid. Retinoids are vitamin A analogs that have profound biological activities. Several retinoids have been reported to have antiinflammatory activity in certain animal models of arthritis, such as adjuvant-induced and streptococcal cell wall-induced arthritis in rats. Some retinoids also have been shown to possess antiinftammatory activity in man by their ability to modulate inflammatory diseases of the skin. It has been reported, for example, that retinoid treatment can inhibit neutrophil accumulation in cutaneous disorders such as psoriasis. (PMID:2123476). D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Linalyl cinnamate
Linalyl cinnamate is used in perfumery and food flavourin
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium
Minor alkaloid from the roots of Valeriana officinalis (valerian). 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium is found in tea, fats and oils, and herbs and spices. 6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium is found in fats and oils. Minor alkaloid from the roots of Valeriana officinalis (valerian).
alpha-Terpinyl cinnamate
alpha-Terpinyl cinnamate is a flavouring ingredient with a heavy, fruity, somewhat spicy taste. Flavouring ingredient with a heavy, fruity, somewhat spicy taste
Dihydroartemisinin (DHA)
Dihydroartemisinin (DHA) is a metabolite of artemether. Artemether is an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. It is combined with Lumefantrine and sold by Novartis under the brand names Riamet and Co-Artem. (Wikipedia)
Dihydroartemisinin
(2Z,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal
4-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)-2-methoxyphenol
5-(8-Amino-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)-2-methoxyphenol
1-(1-(Tert-Butoxycarbonyl)piperidin-4-yl)azetidine-3-carboxylic acid
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Tropisetron (SDZ-ICS-930 free base) is a selective 5-HT3 receptor antagonist and α7-nicotinic receptor agonist with an IC50 of 70.1 ± 0.9 nM for 5-HT3 receptor. IC50 value: 70.1 ± 0.9 nM [1] Target: 5-HT3 receptor in vitro: Tropisetron specifically inhibited both IL-2 gene transcription and IL-2 synthesis in stimulated T cells. tropisetron inhibited both the binding to DNA and the transcriptional activity of NFAT and AP-1. We also observed that tropisetron is a potent inhibitor of PMA plus ionomycin-induced NF-(kappa)B activation but in contrast TNF(alpha)-mediated NF-(kappa)B activation was not affected by this antagonist [2]. Tropisetron prevents the phosphorylation and thus activation of the p38 MAPK, which is involved in post-transcriptional regulation of various cytokines [3]. in vivo: Two different doses of tropisetron (5 and 10 mg/kg) or vehicle were administered intraperitoneally 30 min before pMCAO. Neurological deficit scores, mortality rate and infarct volume were determined 24 h after permanent focal cerebral ischemia [4].
Lynestrenol
Methyltrienolone
(2S)-N-[(2S)-1-[(2-Amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one
hexadecanedioate
Hexadecanedioate, also known as a,omega-hexadecanedioic acid or c16dca(2-), is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Hexadecanedioate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexadecanedioate can be found in a number of food items such as longan, soy bean, american pokeweed, and black crowberry, which makes hexadecanedioate a potential biomarker for the consumption of these food products.
[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Coronarin E
Coronarin E is a natural product found in Alpinia conchigera, Alpinia javanica, and other organisms with data available.
Dehydroabietal
Dehydroabietadienal is a carbotricyclic compound and an abietane diterpenoid. Dehydroabietal is a natural product found in Pinus brutia var. eldarica, Cedrus atlantica, and other organisms with data available.
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
4-Hydroxymethylathrixianon|4-Hydroxymethylathrixianone
(1alpha,3beta,4Z,6alpha,10alpha,12betaH)-form-1,3,10-Trihydroxy-4-germacren-12,6-olide
(5S,10S)-8,11,13-Cleistanthatrien-7-one|8,11,13-cleisanthatrien-7-one|8,11,13-cleistanthatrien-7-one|cleistantha-8,11,13-trien-7-one
N-{4-[N-(3-methyl-but-2-enyl)-guanidino]-butyl}-malonamic acid|N-{4-[N-(3-Methyl-but-2-enyl)-guanidino]-butyl}-malonamidsaeure|smyrnovinine
1,1-Dimethyl-6-hydroxy-7-isopropyl-1,2,3,9,10,10a-hexahydrophenanthrene-3-one
(15R)-12,16-Epoxy-8,11,13-abietatriene|ar-abietatrien-12,16-oxide
N-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)benzamide
(8R,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one-2-D
(1R,2S,4E,7S,9R,11R)-2,7,9-trihydroxy-3,3,7,11-tetramethyl-12-oxabicyclo[9.1.0]dodec-4-en-6-one|mitissimol G
Ac-(-)-(Z)- 1,9,16-Heptadecatriene-4,6-diyn-3-ol|falcarinol acetate|Heptadeca-1,9(Z),16-trien-4,6-diyn-3-ol acetate
(+/-)-faveline methyl ether|faveline methyl ether|Me ether-Faveline
(1alpha,4beta,5alpha,6alpha,11betaH)-form-1,4,5-Trihydroxy-12,6-eudesmanolide|1alpha,4beta,5alpha-trihydroxyeudesman-6beta,11betaH-12,6-olide
(1R,4S,5S,5aR,6R,8aS,9R)-octahydro-5,9-dihydroxy-6-hydroxymethyl-5a-methyl-9-(1-methylethyl)-1,4-methano-2H-cyclopent[d]oxepin-2-one|dendronobilin B
(1R,4R,5S,5aR,6R,8aS,9S)-octahydro-5-hydroxy-6-hydroxymethyl-9-[(1RS)-2-hydroxy-1-methylethyl]-5a-methyl-1,4-methano-2H-cyclopent[d]oxepin-2-one|(1R,4R,5S,5aR,6R,8aS,9S)-octahydro-5-hydroxy-6-hydroxymethyl-9-[(1SR)-2-hydroxy-1-methylethyl]-5a-methyl-1,4-methano-2H-cyclopent[d]oxepin-2-one|dendronobilin D|dendronobilin E
(1R,2S,3R,4S,5R,6S,9R)-2,3,11,12-tetrahydroxypicrotoxan-12(15)-lactone|findlayanin
(S)-6-((1E,3E,7E,9E)-10-((1S,2S)-2-methylcyclopropyl)deca-1,3,7,9-tetraen-1-yl)-5,6-dihydro-2H-pyran-2-one|coibacin A
4-hydroxy-3-methoxy-11-methyldecahydro-1H-benzoxecine-1,12-dione
(6S,7E,9S)-6,9-dihydroxy-10-(2-hydroxyethoxy)-4,7-megastigmadien-3-one|holostymegastigmadienone
12-methoxy-13-methyl-ent-podocarp-6,8,11,13-tetraen-3-one
acalycixeniolide|Acalycixeniolide C|acalycixeniolide C
methyl (3R*,6S*,Z)-4,6-diethyl-3,6-epidioxyundeca-4-enoate
(2E,8E,10E)-heptadeca-2,8,10-triene-4,6-diyn-1-yl acetate|1-acetoxy-heptadeca-2t,8t,10t-triene-4,6-diyne|O-acetyl-enanthetol|O-acetyl-oenanthetol|Oenanthetolacetat
1,4-Androstadiene-3,17-dione
Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.
MLS002207247-01!(8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid
C15H24O5_1-Naphthalenecarboxylic acid, 1,4,4a,5,6,7,8,8a-octahydro-1,4-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate
artenimol
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
Dihydroartemisinin
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent Origin: Plant; SubCategory_DNP: Sesquiterpenoids Dihydroartemisinin is a potent anti-malaria agent. Dihydroartemisinin is a potent anti-malaria agent.
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based on: CCMSLIB00000847701]
(4E,6E)-2-(hydroxymethyl)-3-(3-methoxy-3-oxopropyl)deca-4,6-dienoic acid [IIN-based: Match]
[5-hydroxy-3-(hydroxymethyl)-2-oxo-6-propan-2-ylcyclohex-3-en-1-yl] 3-methylbutanoate_major
Oestrone methyl ether
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium
5-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]hexahydro-4-(hydroxyMethyl)-(3aS,4S,5R,6aR)-2(1H)-pentalenone
1-(tert-Butoxycarbonyl)pyrrolidine-3-boronic acid diethanolamine ester
4-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid
3-[(2-Isopropyl-5-methylphenoxy)methyl]phenylboronic acid
(1S)-N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxamide
1H-Indole-1-carboxylicacid,3-(1-cyano-1-methylethyl)-,1,1-dimethylethylester
tert-butyl 3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-carboxylate
ETHYL5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE-2-CARBOXYLATE
Androsta-4,6-diene-3,17-dione
2-Methyl-2-propanyl 4-(4-piperidinyloxy)-1-piperidinecarboxylate
1-BENZYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
4,4,5,5-TETRAMETHYL-2-(1,2,3,6-TETRAHYDRO-[1,1-BIPHENYL]-4-YL)-1,3,2-DIOXABOROLANE
1-(3-CINNAMYL-3,8-DIAZABICYCLO[3.2.1]OCTAN-8-YL)PROPAN-1-ONE
1-Methyl-3-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
1,2,3-Trifluoro-5-(trans-4-pentylcyclohexyl)benzene
N-(1-Azabicyalo[2,2,2]oct-3s-yl)-1,2,3,4-tetrahydronaphthalen-1s-yl carboxamine
(S)-N-(1-AZABICYCLO[2.2.2]OCT-3-YL)-5,6,7,8-TETRAHYDRO-1-NAPHTHALENECARBOXAMIDE
1-(2-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER
Pyrrolidine, 1-[(7-ethyl-3-formyl-1H-indol-1-yl)acetyl]- (9CI)
Azepino[4,5-b]indole-5-carboxylic acid,1,2,3,6-tetrahydro-1,1-dimethyl-,ethylester
ethyl 2-(1-benzylpiperidin-4-ylidene)-2-cyanoacetate
1-(PIPERIDIN-4-YL)SPIRO[CYCLOHEXANE-1,3-INDOLIN]-2-ONE
[2-[(5-methyl-2-propan-2-ylphenoxy)methyl]phenyl]boronic acid
2-[4-(1-METHYL-1-PHENYLETHYL)PHENOXY]ACETOHYDRAZIDE
5-Methyl-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
TERT-BUTYL 4-HYDROXY-[1,4-BIPIPERIDINE]-1-CARBOXYLATE
4-ethyl-2-methylideneoctanoic acid,methyl 2-methylprop-2-enoate
Trimecaine HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazole
4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)aniline
1-Methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole
3-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-1,2-propanediol
4-Methoxynaphthalen-1-ylboronic acid pinacol ester
[(5-Bicyclo[2.2.1]Hept-2-Enyl)Ethyl] Triethoxysilane
3-(6-Amino-3-methylpyridin-2-yl)benzoic acid tert-butyl ester
1-[2-(4-METHYL-1-PIPERIDINYL)-2-OXOETHYL]-1H-INDOLE-3-CARBALDEHYDE
3-methyl-2-(1-methylpiperidin-4-yl)-6-pyridin-4-ylpyrimidin-4-one
3-Methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
5-amino-4-(1H-benzimidazol-2-yl)-1-pentyl-2H-pyrrol-3-one
5,5-Diethyl-2-hydrazinyl-1,6-dihydrobenzo[h]quinazolin-4-one
(R*,S*)-4-[1-Ethyl-2-(4-methoxyphenyl)butyl]phenol
methyl (2E,6E,10S)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoate
Methyltrienolone
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone
Dihydroqinghaosu
P - Antiparasitic products, insecticides and repellents > P01 - Antiprotozoals > P01B - Antimalarials > P01BE - Artemisinin and derivatives, plain D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides Dihydroartemisinin is a potent anti-malaria agent. Dihydroartemisinin is a potent anti-malaria agent.
N-(4-methoxyphenyl)-N-[2-(6-methylpyridin-2-yl)ethyl]acetamide
(1R,9R)-17-prop-2-enyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
[3-carboxy-2-[(2E,4E)-octa-2,4-dienoyl]oxypropyl]-trimethylazanium
2-Hydroxy-4-[(1R)-1-hydroxy-8-methyl-6-oxononyl]-3-methyl-2H-furan-5-one
[3-carboxy-2-[(2E,6E)-octa-2,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,6E)-octa-3,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-octa-4,6-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(2E,5E)-octa-2,5-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(3E,5E)-octa-3,5-dienoyl]oxypropyl]-trimethylazanium
(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
3H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester
Merulin B, (rel)-
D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides A natural product found in Endophytic fungi.
1,4-dihydroxy-2-(hydroxymethyl)-5,5,8a-trimethyl-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid
(1S,6S,9S,10S)-10-hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.01,6]tridecan-5-one
2-(2-ethyl-1-piperidinyl)-1-(2-methyl-1H-indol-3-yl)ethanone
1-(2,3-Dimethyl-1-indolyl)-2-(4-methyl-1-piperidinyl)ethanone
(2R,4S)-6,6-dimethoxy-1-phenylmethoxyhexane-2,4-diol
10-Hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,3-diol
(2S,3S,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3S,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2R,3R,4R)-1-(cyclopentanecarbonyl)-4-(hydroxymethyl)-3-phenylazetidine-2-carbonitrile
(2R,3S,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3S,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
N-[2-[(2R,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[2-[(2S,5S,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[(2S,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2S,3S,6S)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2S,3S,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
(2S,3R,4R)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
N-[2-[(2S,5R,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[2-[(2R,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[2-[(2R,5R,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[2-[(2R,5S,6S)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[2-[(2S,5R,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide
N-[(2R,3S,6S)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2R,3R,6R)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2R,3R,6S)-6-[2-(ethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
(2R,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
(2S,3R,4S)-1-[cyclopentyl(oxo)methyl]-4-(hydroxymethyl)-3-phenyl-2-azetidinecarbonitrile
2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine
A L-histidine derivative that is L-histidine substituted at poisition 2 (on the imidazole ring) by a 3-carboxy-3-(dimethylamino)propyl group.
4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}-2-(dimethylazaniumyl)butanoate
(3R,6E,8S,10E)-3,8-dihydroxyhexadeca-6,10-dienoic acid
(E,2R,3R,10S)-2-ethyl-3-hydroxy-5,10-dimethyl-9-oxododec-6-enoic acid
(10R,13S)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
(1R,2S,5R,6R,9S,10S)-10-hexyl-11,12-dioxatricyclo[7.2.1.01,6]dodecane-2,5-diol
Acetic acid (3,7-dimethyl-2-trimethylsiloxy-3,6-octadienyl) ester
6-Hydroxymethyl-3-methyl-6-nonyltetrahydro-2H-pyran-2,4-dione
2-(1-Azido-4-hydroxybutyl)-1-pyrrolidinecarboxylic acid tert-butyl ester
1-Hydroxy-7,8-dimethoxy-3,3,4,4-tetramethyl-10-oxatricyclo(5.2.1.0(2,5))decan-6-one
hexadecanedioate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of hexadecanedioic acid; major species at pH 7.3.
Melanostatin
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione
(10S)-Juvenile hormone III diol
2-[3-carboxylato-3-(dimethylammonio)propyl]-L-histidine dizwitterion
An amino acid zwitterion obtained by transfer of protons from the amino to the carboxy groups of 2-[3-carboxy-3-(dimethylamino)propyl]-L-histidine.
1-[2,3-dihydroxy-6-(hydroxymethyl)-2-methyl-3,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-3-hydroxypropan-1-one
(1r,6r)-8,9-dihydroxy-9-(hydroxymethyl)-2,2,6-trimethyl-7-oxatricyclo[6.3.1.0¹,⁶]dodecan-5-one
(2r,2as,3s,4ar,7r,7ar,7br)-2,7a-bis(hydroxymethyl)-2,4a-dimethyl-1h,3h,4h,7h,7bh-cyclobuta[e]indene-2a,3,7-triol
2-[(2r,3s,6s,8s,8ar)-3,6-dihydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1h-naphthalen-2-yl]-3-hydroxypropanoic acid
2,7a-bis(hydroxymethyl)-2,4a-dimethyl-1h,3h,4h,7h,7bh-cyclobuta[e]indene-2a,3,7-triol
4-[(4e)-6-hydroperoxy-3-hydroxy-6-methylhept-4-en-2-yl]cyclohex-1-ene-1-carboxylic acid
(2s)-2-{[hydroxy((2s)-pyrrolidin-2-yl)methylidene]amino}-n-(c-hydroxycarbonimidoylmethyl)-4-methylpentanimidic acid
(2e)-3,7-dimethylocta-2,6-dien-1-yl 3-phenylprop-2-enoate
10-hydroxy-10-(hydroxymethyl)-2,2,6-trimethyl-7,8-dioxatricyclo[7.3.1.0¹,⁶]tridecan-5-one
(1s,2r,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl (2e)-3-phenylprop-2-enoate
7-hydroxy-5,9,13-trimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadeca-4,7,14-trien-6-one
2-{[hydroxy(pyrrolidin-2-yl)methylidene]amino}-n-(c-hydroxycarbonimidoylmethyl)-4-methylpentanimidic acid
4a-hydroperoxy-7-hydroxy-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-5,6,7,8-tetrahydro-1h-naphthalen-2-one
ethyl (6s)-3,6-bis[(2s)-butan-2-yl]-4-oxo-5h-1,2,5-oxadiazine-6-carboxylate
ethyl 4-oxo-3,6-bis(sec-butyl)-5h-1,2,5-oxadiazine-6-carboxylate
(1r,2s,6r,7s,8r,11s,12s,13r)-1,4,4-trimethyl-10-oxatetracyclo[6.4.1.0²,⁶.0¹¹,¹³]tridecane-7,8,11,12-tetrol
(10as)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,10,10a-tetrahydrophenanthren-9-one
5-hydroxy-3-[(1r)-1-hydroxy-8-methyl-6-oxononyl]-4-methyl-5h-furan-2-one
(3r,3as,6r,6as,9s,9as,9br)-6,6a,9-trihydroxy-3,6,9a-trimethyl-octahydroazuleno[4,5-b]furan-2-one
14,16-epoxy-12,20-dinor-11,12-seco-5,7,9-abietatrien-11,14-olide
{"Ingredient_id": "HBIN001323","Ingredient_name": "14,16-epoxy-12,20-dinor-11,12-seco-5,7,9-abietatrien-11,14-olide","Alias": "NA","Ingredient_formula": "C19H24O2","Ingredient_Smile": "NA","Ingredient_weight": "284.39","OB_score": "NA","CAS_id": "209170-47-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9324","PubChem_id": "NA","DrugBank_id": "NA"}
2-hydroxyaeginetic acid
{"Ingredient_id": "HBIN005776","Ingredient_name": "2-hydroxyaeginetic acid","Alias": "NA","Ingredient_formula": "C15H24O5","Ingredient_Smile": "NA","Ingredient_weight": "284.352","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8611","PubChem_id": "NA","DrugBank_id": "NA"}
actinolide b
{"Ingredient_id": "HBIN014643","Ingredient_name": "actinolide b","Alias": "NA","Ingredient_formula": "C16H28O4","Ingredient_Smile": "CCCCCCCCCC=C1C(C(OC1=O)(C)OC)O","Ingredient_weight": "284.39 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "587","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10446606","DrugBank_id": "NA"}
aeginetic acid; 2α-hydroxy
{"Ingredient_id": "HBIN014749","Ingredient_name": "aeginetic acid; 2\u03b1-hydroxy","Alias": "NA","Ingredient_formula": "C15H24O5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7138","PubChem_id": "NA","DrugBank_id": "NA"}
androst-4,6-diene-3,17-dione
{"Ingredient_id": "HBIN016029","Ingredient_name": "androst-4,6-diene-3,17-dione","Alias": "NA","Ingredient_formula": "C19H24O2","Ingredient_Smile": "CC12CCC3C(C1CCC2=O)C=CC4=CC(=O)CCC34C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1168","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
ashabushidiol a
{"Ingredient_id": "HBIN017055","Ingredient_name": "ashabushidiol a","Alias": "NA","Ingredient_formula": "C19H24O2","Ingredient_Smile": "NA","Ingredient_weight": "284.39","OB_score": "NA","CAS_id": "52393-53-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6584","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol d
{"Ingredient_id": "HBIN018589","Ingredient_name": "bisaborosaol d","Alias": "NA","Ingredient_formula": "C15H24O5","Ingredient_Smile": "CC(C1CCC(=CC1)C(=O)O)C(C=CC(C)(C)OO)O","Ingredient_weight": "284.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14483","TCMID_id": "2422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101608764","DrugBank_id": "NA"}
