Exact Mass: 284.1889
Exact Mass Matches: 284.1889
Found 500 metabolites which its exact mass value is equals to given mass value 284.1889,
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).
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
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.
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
1-(1-(Tert-Butoxycarbonyl)piperidin-4-yl)azetidine-3-carboxylic acid
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
(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
11,10-oxymethylenecyclopent-14-isopropyl-8,11,13-podocarpatriene|cycloinumakiol
(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
6,7-dehydrototarol|Delta6-Dehydro-totarol|totara-7,8,11,13-tetaren-13-ol
(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
13-cis-retinal
A retinal in which the double bond alpha- to the aldehyde group has cis configuration, whilst the remaining acyclic double bonds have trans configuration. 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
6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium
11-cis-retinal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids A retinal having 2E,4Z,6E,8E-double bond geometry.
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
(1S)-N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-1,2,3,4-tetrahydro-1-naphthalenecarboxamide
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-2,3,4,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
tert-butyl 3-(aminomethyl)-2-oxa-9-azaspiro[5.5]undecane-9-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-(PIPERIDIN-4-YL)SPIRO[CYCLOHEXANE-1,3-INDOLIN]-2-ONE
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
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
[(5-Bicyclo[2.2.1]Hept-2-Enyl)Ethyl] Triethoxysilane
3-methyl-2-(1-methylpiperidin-4-yl)-6-pyridin-4-ylpyrimidin-4-one
3-Methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
1-Phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1alpha,4aalpha,10abeta)]-
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
17-Methyl-18,19-dinorpregna-4,13-dien-3-one,(17alpha)-
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.
Isoretinene a
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
Retinal
An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
All-trans-retinal
A retinal in which all four exocyclic double bonds have E- (trans-) geometry. 13-cis-retinal, also known as vitamin a aldehyde or retinaldehyde, is a member of the class of compounds known as retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Thus, 13-cis-retinal is considered to be an isoprenoid lipid molecule. 13-cis-retinal is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 13-cis-retinal can be found primarily in blood, as well as throughout most human tissues. Within the cell, 13-cis-retinal is primarily located in the cytoplasm and in the membrane (predicted from logP). It can also be found in the extracellular space. 13-cis-retinal exists in all living organisms, ranging from bacteria to humans. In humans, 13-cis-retinal is involved in the retinol metabolism. 13-cis-retinal is also involved in vitamin A deficiency, which is a metabolic disorder.
All-trans-1,6-seco-1,2-didehydroretinal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
(2Z,4E,6Z,8Z)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenal
(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
7-Dehydroabietanone
An abietane diterpenoid that is abieta-8,11,13-triene substituted by an oxo group at position 7. It has been isolated from the stem bark of Fraxinus sieboldiana.
(+)-(5S)-12-hydroxy-2-oxo-20-norabieta-1(10),8,11,13-tetraene
A tricyclic diterpenoid isolated from the stem bark of Fraxinus sieboldiana.
Cycloinumakiol
An abietane diterpenoid that is podocarpa-8,11,13-triene substituted by a propan-2-yl group at position 14 at an epoxy group across positions 11 and 17. It is isolated from Podocarpus latifolius.
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
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
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
(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.
9-cis-Retinal
A retinal in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration. D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
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
17-Methyl-18,19-dinor-17alpha-pregna-4,13-dien-3-one
all-trans-3,4-Didehydroretinol
A retinoid derived from 3,4-desaturation of the beta-ionone ring of all-trans-retinol.
3-[2-(5,5,8a-trimethyl-2-methylidene-hexahydro-1h-naphthalen-1-yl)ethenyl]furan
1-[2,3-dihydroxy-6-(hydroxymethyl)-2-methyl-3,5,6,7,8,8a-hexahydro-1h-naphthalen-1-yl]-3-hydroxypropan-1-one
(4ar,10as)-7-isopropyl-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-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
(1s,3r,6r,7s,15r)-3,15-dimethyl-6-(prop-1-en-2-yl)-12-oxatetracyclo[8.5.1.0³,⁷.0¹³,¹⁶]hexadeca-10,13(16)-diene
8-ethyl-1,1,4a,7-tetramethyl-4,9,10,10a-tetrahydro-3h-phenanthren-2-one
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
(4bs,8as)-3-isopropyl-4b,8,8-trimethyl-5,6,7,8a-tetrahydrophenanthren-2-ol
(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
(1s,4as,10ar)-7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
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
(1s,4as,10ar)-8-ethyl-1,4a,7-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbaldehyde
(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
3-isopropyl-7,7-dimethyl-5h,6h,6ah,8h,9h,10h-cyclohepta[a]naphthalen-2-ol
6-isopropyl-12,12-dimethyltricyclo[9.4.0.0³,⁸]pentadeca-1,3(8),4,6-tetraen-5-ol
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"}
5,6-didehydroferruginol
{"Ingredient_id": "HBIN011125","Ingredient_name": "5,6-didehydroferruginol","Alias": "NA","Ingredient_formula": "C20H28O","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5466","TCMSP_id": "NA","TCM_ID_id": "NA","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"}
