Exact Mass: 314.2279
Exact Mass Matches: 314.2279
Found 500 metabolites which its exact mass value is equals to given mass value 314.2279,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Progesterone
The major progestational steroid that is secreted primarily by the corpus luteum and the placenta. Progesterone acts on the uterus, the mammary glands and the brain. It is required in embryo implantation, pregnancy maintenance, and the development of mammary tissue for milk production. Progesterone, converted from pregnenolone, also serves as an intermediate in the biosynthesis of gonadal steroid hormones and adrenal corticosteroids. Progesterone is a C-21 steroid hormone involved in the female menstrual cycle, pregnancy (supports gestation) and embryogenesis of humans and other species. Progesterone belongs to a class of hormones called progestagens, and is the major naturally occurring human progestagen. During implantation and gestation, progesterone appears to decrease the maternal immune response to allow for the acceptance of the pregnancy. Progesterone decreases contractility of the uterine smooth muscle. The fetus metabolizes placental progesterone in the production of adrenal mineralo- and glucosteroids. A drop in progesterone levels is possibly one step that facilitates the onset of labor. In addition progesterone inhibits lactation during pregnancy. The fall in progesterone levels following delivery is one of the triggers for milk production. Progesterone is found to be associated with pregnene hydroxylation deficiency, which is an inborn error of metabolism. CONFIDENCE standard compound; INTERNAL_ID 550; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9779; ORIGINAL_PRECURSOR_SCAN_NO 9777 CONFIDENCE standard compound; INTERNAL_ID 550; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9837; ORIGINAL_PRECURSOR_SCAN_NO 9835 CONFIDENCE standard compound; INTERNAL_ID 550; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9731; ORIGINAL_PRECURSOR_SCAN_NO 9729 CONFIDENCE standard compound; INTERNAL_ID 550; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9824; ORIGINAL_PRECURSOR_SCAN_NO 9822 CONFIDENCE standard compound; INTERNAL_ID 550; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9851; ORIGINAL_PRECURSOR_SCAN_NO 9849 CONFIDENCE standard compound; INTERNAL_ID 550; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9793; ORIGINAL_PRECURSOR_SCAN_NO 9791 Progestational hormone secreted by corpus luteum during menstrual cycleand is also found in the gonads and haemolymph of crustaceans, e.g. Artemia, Euphosia, Homarus, Pandalus and Penaeus spp (CCD). G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; INTERNAL_ID 4151 CONFIDENCE standard compound; INTERNAL_ID 1077 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy. Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy.
Cannabidiol
An cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4. COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D002491 - Central Nervous System Agents > D000927 - Anticonvulsants C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
12,13-DiHOME
12,13-DHOME (CAS: 263399-35-5), also known as 12,13-dihydroxy-9-octadecenoic acid or 12,13-DiHOME, is the epoxide hydrolase metabolite of the leukotoxin 12,13-EpOME. 12,13-EpOME acts as a protoxin, with the corresponding epoxide hydrolase 12,13-DHOME specifically exerting toxicity. Both the EpOME and the DHOME are shown to have neutrophil chemotactic activity. 12,13-DHOME suppress the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4, which inhibit multiple aspects of neutrophil activation. 12,13-DHOME is a derivative of the linoleic acid diol that has been reported to be toxic in human tissue preparations. 12,13-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation (PMID: 17435320, 12021203, 12127265). 12,13-DHOME is the epoxide hydrolase metabolite of the leukotoxin12,13-EpOME. 12,13-EpOMEs act as a protoxin, with the corresponding epoxide hydrolase 12,13-DiHOME specifically exerting toxicity. Both the EpOME and the DiHOME are shown to have neutrophil chemotactic activity. 12,13-DiHOME suppress the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4,which inhibit multiple aspects of neutrophil activation. 12,13-DHOME is a derivative of linoleic acid diol that have been reported to be toxic in humans tissue preparations. 12,13-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation. (PMID: 17435320, 12021203, 12127265) [HMDB]
Tetrahydrocannabinol
Tetrahydrocannabinol, abbreviated THC, is a cannabinoid identified in cannabis and is its principal psychoactive constituent. First isolated in 1964, in its pure form, it is a glassy solid when cold, and becomes viscous and sticky if warmed. Synthetically prepared THC, officially referred to by its INN, dronabinol, is available by prescription in the U.S. and Canada under the brand name Marinol. The mechanism of action of THC is not completely understood. It is thought that cannabinoid receptors in neural tissues may mediate the effects of cannabinoids. Animal studies suggest that Marinols antiemetic effects may be due to inhibition of the vomiting control mechanism in the medulla oblongata. A literature review on the subject concluded that "Cannabis use appears to be neither a sufficient nor a necessary cause for psychosis. It is a component cause, part of a complex constellation of factors leading to psychosis." Likewise, a French review from 2009 came to a conclusion that cannabis use, particularly that before age 15, was a factor in the development of schizophrenic disorders. An aromatic terpenoid, THC has a very low solubility in water, but good solubility in most organic solvents, specifically lipids and alcohols. The presence of these specialized cannabinoid receptors in the brain led researchers to the discovery of endocannabinoids, such as anandamide and 2-arachidonoyl glyceride (2-AG). THC targets receptors in a manner far less selective than endocannabinoid molecules released during retrograde signalling, as the drug has a relatively low cannabinoid receptor efficacy and affinity. In populations of low cannabinoid receptor density, THC may act to antagonize endogenous agonists that possess greater receptor efficacy. THC is a lipophilic molecule and may bind non-specifically to a variety of receptors in the brain and body, such as adipose tissue. Dronabinol is only found in individuals that have used or taken this drug. It is extracted from the resin of Cannabis sativa (marijuana, hashish). The isomer delta-9-tetrahydrocannabinol is considered the most active form, producing the characteristic mood and perceptual changes associated with this compound. In the United States, Marinol has been rescheduled from Schedule II to Schedule III of the Controlled Substances Act in 1999, reflecting a finding that THC had a potential for abuse less than that of cocaine and heroin. As a Schedule III drug, it is available by prescription and is considered to be non-narcotic and to have a low risk of physical or mental dependence. Marinol has been approved by the U.S. Food and Drug Administration (FDA) in the treatment of anorexia in AIDS patients, as well as for refractory nausea and vomiting of patients undergoing chemotherapy, which has raised much controversy as to why natural THC is still a Schedule I drug. Efforts to get cannabis rescheduled as analogous to Marinol have not succeeded thus far. In April 2005, Canadian authorities approved the marketing of Sativex, a mouth spray for multiple sclerosis patients, who can use it to alleviate neuropathic pain and spasticity. Sativex contains tetrahydrocannabinol together with cannabidiol and is a preparation of whole cannabis rather than individual cannabinoids. It is marketed in Canada by GW Pharmaceuticals, being the first cannabis-based prescription drug in the world (in modern times). In addition, Sativex received European regulatory approval in 2010. An analog of dronabinol, nabilone, is available commercially in Canada under the trade name Cesamet, manufactured by Valeant Pharmaceuticals. Cesamet has also received FDA approval and began marketing in the U.S. in 2006. It is a Schedule II drug. Δ9tetrahydrocannabinol, also known as delta(9)-thc or marinol, is a member of the class of compounds known as 2,2-dimethyl-1-benzopyrans. 2,2-dimethyl-1-benzopyrans are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position. Δ9tetrahydrocannabinol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Δ9tetrahydrocannabinol can be found in a number of food items such as wakame, cloves, burbot, and black cabbage, which makes Δ9tetrahydrocannabinol a potential biomarker for the consumption of these food products. Δ9tetrahydrocannabinol can be found primarily in blood and urine. Δ9tetrahydrocannabinol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Δ9tetrahydrocannabinol is a drug which is used for the treatment of anorexia associated with weight loss in patients with aids, and nausea and vomiting associated with cancer chemotherapy in patients who have failed to respond adequately to conventional antiemetic treatment. The mechanism of action of marinol is not completely understood. It is thought that cannabinoid receptors in neural tissues may mediate the effects of dronabinol and other cannabinoids. Animal studies with other cannabinoids suggest that marinols antiemetic effects may be due to inhibition of the vomiting control mechanism in the medulla oblongata (DrugBank). A potentially serious oral ingestion, if recent, should be managed with gut decontamination. In unconscious patients with a secure airway, instill activated charcoal (30 to 100 g in adults, 1 to 2 g/kg in infants) via a nasogastric tube. A saline cathartic or sorbitol may be added to the first dose of activated charcoal. Patients experiencing depressive, hallucinatory or psychotic reactions should be placed in a quiet area and offered reassurance. Benzodiazepines (5 to 10 mg diazepam po) may be used for treatment of extreme agitation. Hypotension usually responds to Trendelenburg position and IV fluids. Pressors are rarely required (L1712) (T3DB). D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
9,10-DiHOME
9,10-Dihydroxy-12-octadecenoic acid (CAS: 263399-34-4), also known as 9,10-DHOME, is a derivative of linoleic acid diol and has been reported to be toxic in humans tissue preparations. 9,10-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation. 9,10-DHOME is the epoxide hydrolase metabolite of the leukotoxin 9,10-EpOME. 9,10-EpOME act as a protoxin, with the corresponding epoxide hydrolase metabolite 9,10-DHOME, specifically exerting toxicity. Both 9,10-EpOME and 9,10-DHOME are shown to have neutrophil chemotactic activity. 9,10-DHOME suppresses the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4, which inhibit multiple aspects of neutrophil activation (PMID: 12021203, 12127265, 17435320). 9,10-DHOME is found in fruits and can be isolated from the seeds of Cucurbita pepo. 9,10-DHOME is a derivative of linoleic acid diol that have been reported to be toxic in humans tissue preparations. 9,10-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation. 9,10-DHOME is the epoxide hydrolase metabolite of the leukotoxin 9,10--EpOME. 9,10-EpOMEs act as a protoxin, with the corresponding epoxide hydrolase 9,10-DiHOME specifically exerting toxicity. Both the 9,10-EpOME and the 9,10-DiHOME are shown to have neutrophil chemotactic activity. 9,10-DiHOME suppress the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4,which inhibit multiple aspects of neutrophil activation. (PMID: 12021203, 12127265, 17435320) [HMDB]
16-Dehydropregnenolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
7S,8S-DiHOME
17alpha-Ethyl-17beta-estradiol 3-methyl ether
10beta-Hydroxynorethindrone
17beta-Acetylestradiol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones β-Estradiol 17-acetate is a metabolite of estradiol. Target: Others β-Estradiol 17-acetate is a metabolite of estradiol.
9(11)-Dehydro-2alpha,17-dimethyltestosterone
1-Dehydro-7alpha,17-dimethyltestosterone
3,5-Cyclo-5alpha,17alpha-pregn-20-yne-6beta,17-diol
4-Ketoretinoic acid
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids all-trans-4-Oxoretinoic acid, an active metabolite of vitamin A, induces gene transcription via binding to nuclear retinoic acid receptors (RARs).
9,10-Epoxy-18-hydroxy-octadecanoic acid
9,10-epoxy-18-hydroxy-octadecanoic acid, also known as 9,10-epoxy-18-hydroxystearate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 9,10-epoxy-18-hydroxy-octadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-epoxy-18-hydroxy-octadecanoic acid can be found in a number of food items such as wheat, deerberry, common beet, and rocket salad, which makes 9,10-epoxy-18-hydroxy-octadecanoic acid a potential biomarker for the consumption of these food products.
10S-hydroperoxy-8E-octadecenoic acid
Dibutyl decanedioate
Dibutyl decanedioate, also known as DBS or butyl sebacate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Dibutyl decanedioate is a potentially toxic compound. Flavouring ingredient used in fruit food flavouring
ctadecanedioate (C18-DC)
Octadecanedioic acid, also known as 1,18-octadecanedioate or octadecane-1,18-dioate, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. In the case of octadecanedioic acid, it has carboxyl groups at both ends of the chain, not just one. Octadecanedioic acid is a very hydrophobic molecule, practically insoluble (in water). Octadecanedioic acid is a long-chain dicarboxylic acid normally not found in humans that has been identified in the blood serum in Reyes syndrome patients (PMID: 3746531). There may also be an association with colorectal cancer (PMID: 25037050). Octadecanedioic acid is a long-chain dicarboxylic acid normally not found in humans that has been identified in blood serum in Reyes syndrome patients (PMID 3746531) [HMDB] Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1]. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1].
Cardoltriene
Cardoltriene is found in nuts. Cardoltriene is a constituent of Anacardium occidentale (cashew). Constituent of Anacardium occidentale (cashew). Cardoltriene is found in nuts.
9,10-Epoxyoctadecanoic acid
9,10-Epoxyoctadecanoic acid (CAS: 3233-92-9), also known as 9,10-epoxystearate, belongs to the class of organic compounds known as linoleic acids and derivatives. These are derivatives of linoleic acid. Linoleic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. 9,10-Epoxyoctadecanoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 9,10-Epoxyoctadecanoic acid is an epoxy fatty acid. Epoxy fatty acids bear an oxirane ring that shares a CC-bond with the aliphatic chain. The cis-9,10-epoxyoctadecanoic acid has been found in liver microsomes and is believed to originate from CYP-catalyzed epoxidation of oleic acid.
4-Nerolidylcatechol
4-Nerolidylcatechol is found in herbs and spices. 4-Nerolidylcatechol is a constituent of Pothomorphe umbellata (pariparoba) and Pothomorphe peltata (Piperaceae) Constituent of Pothomorphe umbellata (pariparoba) and Pothomorphe peltata (Piperaceae). 4-Nerolidylcatechol is found in herbs and spices.
7-Dehydropregnenolone
7-Dehydropregnenolone is a 21-carbon steroid, derived from cholesterol and found in steroid hormone-producing tissues. It is the precursor to Gonadal steroid hormones and the adrenal corticosteroid. 7-Dehydropregnenolone is the the single product of metabolism of 7-dehydrocholesterol by CYP11A1 (PMID 14657394). 7-Dehydropregnenolone is a 21-carbon steroid, derived from cholesterol and found in steroid hormone-producing tissues. It is the precursor to Gonadal steroid hormones and the adrenal corticosteroid. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Rhazidigenine Nb-oxide
Rhazidigenine Nb-oxide is an alkaloid from the bark of Aspidosperma quebracho-blanco (quebracho
2-Undecyl-4(1H)-quinolinone N-oxide
2-Undecyl-4(1H)-quinolinone N-oxide is found in herbs and spices. 2-Undecyl-4(1H)-quinolinone N-oxide is isolated from roots of Ruta graveolens (rue). Isolated from roots of Ruta graveolens (rue). 2-Undecyl-4(1H)-quinolinone N-oxide is found in herbs and spices.
13-HDoHE
13-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 13-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
pregn-5-ene-3,20-dione
pregn-5-ene-3,20-dione is classified as a gluco/mineralocorticoids, progestogin or a Gluco/mineralocorticoids, progestogin derivative. Gluco/mineralocorticoids, progestogins are steroids with a structure based on a hydroxylated prostane moiety. pregn-5-ene-3,20-dione is considered to be practically insoluble (in water) and relatively neutral D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
cis-4-Decenoylcarnitine
cis-4-Decenoylcarnitine is an acylcarnitine. More specifically, it is an cis-4-decenoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. cis-4-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine cis-4-decenoylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. In particular cis-4-decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). cis-4-Decenoylcarnitine has also been identified in the human placenta (PMID: 32033212 ). Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
N-Lauroyl Asparagine
N-lauroyl asparagine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Lauric acid amide of Asparagine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Lauroyl Asparagine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Lauroyl Asparagine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
Pregna-5,16-dien-20-one, 3beta-hydroxy-
3alpha-Hydroxytibolone
4-[(1S,6R)-3-Methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
Methyl retinoate
3beta-Hydroxypregna-5,16-dien-20-one
3beta-hydroxypregna-5,16-dien-20-one, also known as 16-dehydropregnenolone or 5,16-pregnadien-3beta-ol-20-one, is a member of the class of compounds known as 20-oxosteroids. 20-oxosteroids are steroid derivatives carrying a C=O group at the 20-position of the steroid skeleton. Thus, 3beta-hydroxypregna-5,16-dien-20-one is considered to be a steroid lipid molecule. 3beta-hydroxypregna-5,16-dien-20-one is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 3beta-hydroxypregna-5,16-dien-20-one can be found in fenugreek, which makes 3beta-hydroxypregna-5,16-dien-20-one a potential biomarker for the consumption of this food product.
Crinone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials CONFIDENCE standard compound; EAWAG_UCHEM_ID 3255 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy. Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy.
Herquline B
An alkaloid comprising of a piperazine and cyclohexenone ring systems. Isolated from Penicillium herquei, it exhibits inhibitory activity against platelet aggregation.
14-methoxyabieta-8,11,13-trien-3-one|triptonoterpene methyl ether
(8Z,11E,13Z)-4-(8,11,13-Pentadecatrienyl)-1,2-benzenediol
12-deoxy-seco-hinokiol methyl ester|methyl 3-[(1S,2S)-6-isopropyl-1-methyl-2-(prop-1-en-2-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]propanoate
2-methyl-2-<(3E)-4,8-dimethylnona-37-dienyl>-3,4-dihydro-2H-1-benzopyran-6-ol
(Z,Z)-4-(8,11,14-Pentadecatrienyl)-1,2-benzenediol
2-[(5,5,8a-trimethyl-2-methylene-decalin-1-yl)methyl]benzene-1,4-diol
(5alpha)-20-hydroxypregna-1,7-dien-3-one|krempene D
dihydroplakortin|endoperoxide 9,10-dihydroplakortin
3-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
(E)-methyl 15-hydroxy-15-methoxy-12-oxopentadec-13-enoate
(2S)-2-carboxy-2-hydroxyethyl (10Z)-tetradec-10-enoate|(2S)-3-[(10Z)-tetradec-10-enoyloxy]-2-hydroxypropanoic acid
20-hydroxy-3-oxopregn-4,6-diene|20alpha-Hydroxypregna-4,6-dien-3-on|Cybisteron (Delta4.6-Pregnadien-20alpha-ol-3-on)
12-Methoxy-6,8,11,13-abietatetraen-11-ol|12-Methoxy-6,8,11,13-abietatraen-11-ol|6,7-dehydrodeoxocryptojaponol
(Z)-15-Docosene-1,3-diyn-5-one|docos-15-cis-ene-1,3-diyn-5-one|docos-15c-ene-1,3-diyn-5-one
(3-ethyl-9-methoxy-1,2,3,4,6,7,12,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-methanol|10-methoxy-17-nor-corynan-16-ol|10-Methoxydihydrocorynantheol
16beta-Hydroxy-4,17(20)-(t)-pregnadien-3-on|16beta-Hydroxy-4,17(20)-trans-pregnadien-3-on|4,17(20)-trans-Pregnadien-16beta-ol-3-on|Z-Guggulsterol
(17R)-5,16-seco-22-nor-ajmalane-17,21alpha-diol|3-ethyl-1,3,4,6,7,12,12a,12b-octahydro-2H-2,7a-ethano-indolo[2,3-a]quinolizine-4,13-diol|Norajmalin
5-hydroxymethyl-1-(1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)heptan-1-one
Methyl dehydroabietate
Methyl dehydroabietate is a natural product found in Pinus sylvestris var. hamata, Pinus luchuensis, and other organisms with data available.
Delta9-tetrahydrocannabinol
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3629 CONFIDENCE standard compound; INTERNAL_ID 1583
9,10-DiHOME
A DiHOME obtained by formal dihydroxylation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
Progesterone
A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Origin: Animal, Pregnanes CONFIDENCE standard compound; INTERNAL_ID 1077 CONFIDENCE standard compound; INTERNAL_ID 8724 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.400 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.398 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. Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy. Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy.
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid
2-[(1S,6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
C21H30O2_5-[(8Z,11Z)-8,11,14-Pentadecatrien-1-yl]-1,3-benzenediol
Octadecanedioic acid
An alpha,omega-dicarboxylic acid that is octadecane in which both terminal methyl groups have been replaced by carboxy groups. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1]. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1].
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based: Match]
(3b,5a,17a)-18,19-Dinorpregn-15-en-20-yne-3,17-diol
(3a,5a,17a)-18,19-Dinorpregn-15-en-20-yne-3,17-diol
(5Z,7E)-(3S)-3-dihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one
Rhazidigenine Nb-oxide
FA 18:1;O2
Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1]. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1].
ST 21:3;O2
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
isoprogesterone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
20-oxo-22,23,24,25,26,27-hexanorvitamin D3
3-((8Z,11E,13Z)-pentadeca-8,11,13-trien-1-yl)catechol
3-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)catechol
5-((8Z,11Z)-pentadeca-8,11,14-trien-1-yl)resorcinol
methyl 1-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]piperidine-2-carboxylate
delta8-Tetrahydrocannabinol
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
(-)-1,2-bis-((2S,5S)-2,5-Diethylphospholano)ethane
2-((2,5-DIMETHYLPHENYL)(P-TOLYL)METHYL)-1,4-DIMETHYLBENZENE
2-[[4-[(2,5-dimethylphenyl)methyl]phenyl]methyl]-1,4-dimethylbenzene
BUTYL 4-TERT-BUTOXYCARBONYLAMINO-1-PIPERIDINEACETATE
(1R,2R)-2-(N,N-DIMETHYLAMINO)-1-(P-NITROPHENYL)-1,3-PROPANEDIOL
4-[(trans,trans)-4-Butyl[1,1-bicyclohexyl]-4-yl]phenol
(2R)-(-)-1,1-bis-(4-Methoxyphenyl)-3-methyl-1,2-butanediamine
(+)-1,2-bis-((2R,5R)-2,5-Diethylphospholano)ethane
Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Methyl retinoate
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
8-[(2S,3R)-3-(8-Hydroxyoctyl)oxiran-2-yl]octanoic acid
17beta-Hydroxy-7alpha,17-dimethylandrosta-1,4-dien-3-one
3-Ethynyl-3-hydroxyandrostan-17-one, (3beta,5alpha)-
17beta-Hydroxy-2alpha,17-dimethyl-4,9(11)-androstadien-3-one
1,3-Benzenediol, 2-[3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl-, (1R-trans)-
D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Marinol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
Lutex
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03D - Progestogens > G03DA - Pregnen (4) derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D011372 - Progestins C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy. Progesterone is a steroid hormone that regulates the menstrual cycle and is crucial for pregnancy.
17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
4-[(1S,6R)-3-Methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
(10R,13S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
5,9,13,17-Tetramethyloctadeca-2,4,8,12,16-pentaenal
[3-carboxy-2-[(E)-dec-4-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(Z)-dec-4-enoyl]oxypropyl]-trimethylazanium
(3-Carboxy-2-dec-9-enoyloxypropyl)-trimethylazanium
[3-carboxy-2-[(Z)-dec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-8-methylnon-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-8-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,7E)-3-hydroxynona-4,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(5E,7E)-3-hydroxynona-5,7-dienoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(4E,6E)-3-hydroxynona-4,6-dienoyl]oxypropyl]-trimethylazanium
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxododec-4-enyl]-trimethylazanium
1-[1,3-Dimethyl-2-oxo-5-[[oxo(propylamino)methyl]amino]-4-imidazolidinyl]-3-propylurea
[1-(3-Phenylpropyl)-4-piperidinyl]-(1-piperidinyl)methanone
[(2R,3S,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(1R,2aS,8bS)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
2-cyclopropyl-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]acetamide
[(2R,3S,4R)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(2S,3S,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(2S,3R,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(1S,2aR,8bR)-1-(hydroxymethyl)-2-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclohexylmethanone
(1S,7R,8R,14S)-15-methyl-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(4S,5S)-4-methoxy-5-methylheptan-2-yl]cyclopropyl]butanoic acid
Benzo[d]xanthen-10-ol, 1,2,3,4,4a,5,6,7,7a,8-decahydro-4,4,7,7a-tetramethyl-, (7S,7aR,13aS)-
Tetradecanoic acid, 12-methyl, trimethylsilyl ester
[1-hydroxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] acetate
Dronabinol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D063385 - Cannabinoid Receptor Modulators D018377 - Neurotransmitter Agents > D063385 - Cannabinoid Receptor Modulators > D063386 - Cannabinoid Receptor Agonists A - Alimentary tract and metabolism > A04 - Antiemetics and antinauseants > A04A - Antiemetics and antinauseants D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D006213 - Hallucinogens D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics
9,10-epoxy-18-hydroxyoctadecanoic acid
An epoxy fatty acid that is 9,10-epoxyoctadecanoic acid (9,10-epoxystearic acid) carrying an additional hydroxy substituent at position 18.
pregn-5-ene-3,20-dione
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
12,13-DHOA
A DiHOME obtained by formal dihydroxylation of the 12,13-double bond of octadeca-9,12-dienoic acid (the 9Z-geoisomer).
7-Dehydropregnenolone
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid
A 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively.
2S-hydroxy-3-(10Z-tetradecenoyloxy)-propanoic acid
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid
A 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively.
10-hydroperoxy-8E-octadecenoic acid
A hydroperoxy fatty acid that is 10-hydroperoxy derivative of (8E)-octadecenoic acid.
9-hydroperoxy-10E-octadecenoic acid
A hydroperoxy fatty acid that is 9-hydroperoxy derivative of (10E)-octadecenoic acid.
Delta(9)-tetrahydrocannabinol
A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.
(8E,10S)-10-hydroperoxy-8-octadecenoic acid
A hydroperoxy fatty acid that is the (10S)-hydroperoxy derivative of (8E)-octadecenoic acid.
1-(1-hydroxyethyl)-9a,11a-dimethyl-1h,2h,3h,3ah,5h,5ah,6h,9bh,10h,11h-cyclopenta[a]phenanthren-7-one
2-[(1s,6s)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
7-isopropyl-6-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2h-phenanthren-9-one
(1s,9s,10s,11s,12s,17s)-12-ethyl-10-(hydroxymethyl)-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2,4,6-trien-14-ium-14-olate
(2s,3r,7r,8s,14s,17s)-15-methyl-1,15-diazapentacyclo[12.3.1.1³,¹⁷.1⁸,¹².0²,⁷]icos-12(20)-ene-6,9-dione
methyl 2-[(3r,4s,6r)-4-ethyl-6-[(2s)-2-ethylhexyl]-6-methyl-1,2-dioxan-3-yl]acetate
1,5,5-trimethyl-9-pentyl-6,15-dioxatetracyclo[9.3.1.0⁴,¹³.0⁷,¹²]pentadeca-7,9,11-triene
(3as,8ar)-8a-[(2r,4r,5r)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-2h,3h,8h-furo[2,3-b]indol-3a-ol
(2s)-2-hydroxy-3-(tetradec-10-enoyloxy)propanoic acid
(5as,7ar,11ar,11bs)-5a,8,8,11a-tetramethyl-6,7,7a,9,10,11,11b,12-octahydro-5-oxatetraphen-2-ol
(6s,12br)-6,9,9,12b-tetramethyl-5,6,7,8,8a,10,11,12-octahydro-oxatetraphen-3-ol
2-(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)benzene-1,4-diol
(1s,7r,8s,14s)-15-methyl-15,17-diazatetracyclo[12.2.2.1³,⁷.1⁸,¹²]icosa-3(20),12(19)-diene-6,9-dione
17-hydroxy-3,7,11-trimethylbicyclo[12.2.2]octadeca-3,7,11,14(18)-tetraen-15-one
1-[(4ar,10ar)-6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-4a-yl]ethanone
1-(6-hydroxy-7-isopropyl-1,1-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-4a-yl)ethanone
2-[[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]hydroquinone
{"Ingredient_id": "HBIN003600","Ingredient_name": "2-[[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]hydroquinone","Alias": "2-[[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylene-decalin-1-yl]methyl]benzene-1,4-diol; 2-[[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methyl]benzene-1,4-diol; 2-[[(1R,4aS,8aR)-5,5,8a-trimethyl-2-methylene-1-decalinyl]methyl]benzene-1,4-diol","Ingredient_formula": "C21H30O2","Ingredient_Smile": "NA","Ingredient_weight": "314.46","OB_score": "17.20441857","CAS_id": "39707-54-5","SymMap_id": "SMIT05816","TCMID_id": "NA","TCMSP_id": "MOL003797","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3,4,5,6-tetrahydro-2-methyl-5-(1-methylethylidene)-9-pentyl-2,6- methano-2h-1-benzoxocin-7-ol
{"Ingredient_id": "HBIN007243","Ingredient_name": "3,4,5,6-tetrahydro-2-methyl-5-(1-methylethylidene)-9-pentyl-2,6- methano-2h-1-benzoxocin-7-ol","Alias": "NA","Ingredient_formula": "C21H30O2","Ingredient_Smile": "NA","Ingredient_weight": "314.46","OB_score": "NA","CAS_id": "14992-44-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8342","PubChem_id": "NA","DrugBank_id": "NA"}
(5R,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
{"Ingredient_id": "HBIN011914","Ingredient_name": "(5R,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one","Alias": "NA","Ingredient_formula": "C22H34O","Ingredient_Smile": "NA","Ingredient_weight": "314.5","OB_score": "15.18728","CAS_id": "102848-61-3","SymMap_id": "SMIT03494","TCMID_id": "NA","TCMSP_id": "MOL001012","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
avarol
{"Ingredient_id": "HBIN017393","Ingredient_name": "avarol","Alias": "NA","Ingredient_formula": "C21H30O2","Ingredient_Smile": "CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C","Ingredient_weight": "314.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "10979;10980","PubChem_id": "72185","DrugBank_id": "NA"}
