Exact Mass: 248.1273196
Exact Mass Matches: 248.1273196
Found 500 metabolites which its exact mass value is equals to given mass value 248.1273196,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Parthenolide
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents (1Ar,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one is a germacranolide. Parthenolide has been used in trials studying the diagnostic of Allergic Contact Dermatitis. (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one is a natural product found in Cyathocline purpurea, Tanacetum parthenium, and other organisms with data available. Parthenolide belongs to germacranolides and derivatives class of compounds. Those are sesquiterpene lactones with a structure based on the germacranolide skeleton, characterized by a gamma lactone fused to a 1,7-dimethylcyclodec-1-ene moiety. Thus, parthenolide is considered to be an isoprenoid lipid molecule. Parthenolide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Parthenolide is a bitter tasting compound found in sweet bay, which makes parthenolide a potential biomarker for the consumption of this food product. Parthenolide is a sesquiterpene lactone of the germacranolide class which occurs naturally in the plant feverfew (Tanacetum parthenium), after which it is named. It is found in highest concentration in the flowers and fruit . relative retention time with respect to 9-anthracene Carboxylic Acid is 1.002 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.000 Parthenolide is a sesquiterpene lactone found in the medicinal herb Feverfew. Parthenolide exhibits anti-inflammatory activity by inhibiting NF-κB activation; also inhibits HDAC1 protein without affecting other class I/II HDACs. Parthenolide is a sesquiterpene lactone found in the medicinal herb Feverfew. Parthenolide exhibits anti-inflammatory activity by inhibiting NF-κB activation; also inhibits HDAC1 protein without affecting other class I/II HDACs.
Mecheliolide
Micheliolide is a sesquiterpene lactone. Micheliolide is a natural product found in Costus and Magnolia champaca with data available. Micheliolide can attenuate high glucose-stimulated NF-κB activation, IκBα degradation, and the expression of MCP-1, TGF-β1, and FN in mouse mesangial cells. Micheliolide can attenuate high glucose-stimulated NF-κB activation, IκBα degradation, and the expression of MCP-1, TGF-β1, and FN in mouse mesangial cells.
codonolactone
Atractylenolide III is a naphthofuran. It has a role as a metabolite. Atractylenolide III is a natural product found in Codonopsis canescens, Codonopsis subglobosa, and other organisms with data available. A natural product found in Atractylodes lancea. Atractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells. Atractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells.
Santamarin
Santamarin, also known as (+)-santamarine or balchanin, belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Santamarin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Santamarin can be found in sweet bay, which makes santamarin a potential biomarker for the consumption of this food product. Santamarin is a sesquiterpene lactone of the eudesmanolide group. Santamarine is a natural product found in Centaurea uniflora, Eupatorium capillifolium, and other organisms with data available.
Tomentosin
Tomentosin is a sesquiterpene lactone. Tomentosin is a natural product found in Apalochlamys spectabilis, Leucophyta brownii, and other organisms with data available.
6-HYDROXYMELATONIN
A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents 6-Hydroxymelatonin is a primary metabolic of Melatonin, which is metabolized by cytochrome P450 (CYP) 1A2.
Confertin
A natural product found in Inula hupehensis. A pseudoguaianolide that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by an oxo group at position 5, methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis.
Artabsin
Constituent of Artemisia absinthium (wormwood). Artabsin is found in alcoholic beverages and herbs and spices. Artabsin is found in alcoholic beverages. Artabsin is a constituent of Artemisia absinthium (wormwood).
Artemorin
Artemorin is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Artemorin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Artemorin is a bitter tasting compound found in sweet bay, which makes artemorin a potential biomarker for the consumption of this food product.
Eupatolide
A germacranolide with formula C15H20O3, isolated from several Inula species. It exhibits anti-cancer properties.
Ivalin
Pseudoivalin
Tamaulipin A
(+)-cis-abscisic aldehyde
(+)-cis-abscisic aldehyde is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, (+)-cis-abscisic aldehyde is considered to be an isoprenoid lipid molecule (+)-cis-abscisic aldehyde is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-cis-abscisic aldehyde can be found in a number of food items such as american cranberry, wild leek, lotus, and yautia, which makes (+)-cis-abscisic aldehyde a potential biomarker for the consumption of these food products.
1-Deoxy-11-oxopentalenate
Bromelains
Enzymes occurring in pineapple juice (Ananas sativus); used in tenderising meat and chill-proofing beer [DFC]. Along with papain, bromelain is one of the most popular substances to use for meat tenderizing.; Bromelain can refer to one of two protease enzymes extracted from the plant family Bromeliaceae, or it can refer to a combination of those enzymes along with other compounds produced in an extract. [BioSpider]. Bromelains is found in pineapple and fruits. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives Enzymes occurring in pineapple juice (Ananas sativus); used in tenderising meat and chill-proofing beer [DFC] C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
6-Hydroxymelatonin
6-Hydroxymelatonin, also known as lopac-H-0627, belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group. 6-Hydroxymelatonin is considered to be a practically insoluble (in water) and relatively neutral molecule. 6-Hydroxymelatonin has been found in human liver and kidney tissues, and has also been detected in multiple biofluids, such as urine and blood. Within the cell, 6-hydroxymelatonin is primarily located in the cytoplasm. 6-Hydroxymelatonin is the main primary metabolite that can be biosynthesized from melatonin through its interaction with the enzyme cytochrome P450 (CYP) 1A2 (PMID: 11452239). In humans, 6-hydroxymelatonin is involved in the tryptophan metabolism pathway. Melatonin is a hormone that is metabolized by cytochrome P450 (CYP) 1A2 to its main primary metabolite 6-hydroxymelatonin. (PMID 11452239) [HMDB]. 6-Hydroxymelatonin is found in many foods, some of which are garden onion, millet, peppermint, and apricot. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents 6-Hydroxymelatonin is a primary metabolic of Melatonin, which is metabolized by cytochrome P450 (CYP) 1A2.
2alpha-Hydroxyalantolactone
2alpha-Hydroxyalantolactone is found in herbs and spices. 2alpha-Hydroxyalantolactone is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 2alpha-Hydroxyalantolactone is found in herbs and spices.
Glechomafuran
Constituent of spinach leaves (Spinacia oleracea). Mono-trans-p-coumaroylmesotartaric acid is found in green vegetables and spinach. Glechomafuran is found in green vegetables. Glechomafuran is a constituent of Smyrnium olusatrum (alexanders).
(S)-Pterosin A
(S)-Pterosin A is found in green vegetables. (S)-Pterosin A is a constituent of Pteridium aquilinum (bracken fern)
4-Epiisoinuviscolide
4-Epiisoinuviscolide is found in herbs and spices. 4-Epiisoinuviscolide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 4-Epiisoinuviscolide is found in herbs and spices.
Desacetyllaurenobiolide
Desacetyllaurenobiolide is found in herbs and spices. Desacetyllaurenobiolide is a constituent of Artemisia species. Constituent of Artemisia subspecies Desacetyllaurenobiolide is found in sweet bay and herbs and spices.
Marasmen-3-one
Marasmen-3-one is found in mushrooms. Marasmen-3-one is a metabolite of Marasmius oreades (fairy ring mushroom Metabolite of Marasmius oreades (fairy ring mushroom). Marasmen-3-one is found in mushrooms.
1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid
1alpha-1-Hydroxy-2,4(18),11(13)-eudesmatrien-12-oic acid is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
(1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide
(1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide is found in herbs and spices. (1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). (1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide is found in herbs and spices.
(S)-Pterosin D
Isolated from Pteridium aquilinum (bracken fern). (R)-Pterosin D is found in green vegetables and root vegetables. (R)-Pterosin D is found in green vegetables. (R)-Pterosin D is isolated from Pteridium aquilinum (bracken fern).
4,5-Epoxy-11(13)-guaien-12,8-olide
4,5-Epoxy-11(13)-guaien-12,8-olide is found in herbs and spices. 4,5-Epoxy-11(13)-guaien-12,8-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 4,5-Epoxy-11(13)-guaien-12,8-olide is found in herbs and spices.
Pseudoisoeugenol 2-methylbutanoate
Pseudoisoeugenol 2-methylbutanoate is found in anise. Pseudoisoeugenol 2-methylbutanoate is a constituent of Pimpinella anisum (aniseed) Constituent of Pimpinella anisum (aniseed). Pseudoisoeugenol 2-methylbutanoate is found in fats and oils, herbs and spices, and anise.
Cichoralexin
Constituent of Cichorium intybus (chicory) inoculated with Pseudomonas cichorii. Cichoralexin is found in chicory, herbs and spices, and green vegetables. Cichoralexin is found in chicory. Cichoralexin is a constituent of Cichorium intybus (chicory) inoculated with Pseudomonas cichorii.
2,12-Epoxy-7(14)-illudadiene-3,8-diol
2,12-Epoxy-7(14)-illudadiene-3,8-diol is found in mushrooms. 2,12-Epoxy-7(14)-illudadiene-3,8-diol is a metabolite of Agrocybe aegerita.
1beta-Hydroxyalantolactone
1beta-Hydroxyalantolactone is found in herbs and spices. 1beta-Hydroxyalantolactone is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 1beta-Hydroxyalantolactone is found in herbs and spices. 1beta-Hydroxyalantolactone modulate many processes that influence inflammatory reactions[1]. 1beta-Hydroxyalantolactone modulate many processes that influence inflammatory reactions[1].
Istanbulin B
Istanbulin B is found in green vegetables. Istanbulin B is a constituent of Smyrnium olusatrum (alexanders) Constituent of Smyrnium olusatrum (alexanders). Istanbulin B is found in green vegetables.
Heliannuol C
Heliannuol C is found in fats and oils. Heliannuol C is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Heliannuol C is found in sunflower and fats and oils.
8-Epiisoivangustin
8-Epiisoivangustin is found in herbs and spices. 8-Epiisoivangustin is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 8-Epiisoivangustin is found in herbs and spices.
Heliannuol B
Heliannuol B is found in fats and oils. Heliannuol B is a constituent of Helianthus annuus (sunflower) Constituent of Helianthus annuus (sunflower). Heliannuol B is found in fats and oils.
Enokipodin A
Enokipodin A is found in mushrooms. Enokipodin A is a constituent of Flammulina velutipes (velvet shank) Constituent of Flammulina velutipes (velvet shank). Enokipodin A is found in mushrooms.
Heliannuol E
Heliannuol E is found in fats and oils. Heliannuol E is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Heliannuol E is found in sunflower and fats and oils.
Annuolide E
Annuolide D is found in fats and oils. Annuolide D is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Annuolide D is found in fats and oils.
(1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide
(1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide is found in herbs and spices. (1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). (1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide is found in herbs and spices.
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside is found in herbs and spices. (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside occurs in fennel.
Glandulone C
Glandulone C is found in fats and oils. Glandulone C is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Glandulone C is found in fats and oils.
Illudin C2
Illudin C3 is produced by Coprinus atramentarius (common ink cup Production by Coprinus atramentarius (common ink cup).
Prenyl glucoside
Prenyl glucoside is found in citrus. Prenyl glucoside is isolated from satsuma orange (Citrus unshiu
Eugenyl isovalerate
Eugenyl isovalerate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]"). It is used as a food additive .
Methionyl-Valine
Methionyl-Valine is a dipeptide composed of methionine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valylmethionine
Valylmethionine is a dipeptide composed of valine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Histidylproline diketopiperazine
Histidylproline diketopiperazine is a cyclic dipeptide initially described in both the hypothalamus and cerebral tissues, has been detected in various sites outside the central nervous system, including the gastrointestinal tract and, more specifically, the endocrine pancreas. Histidylproline diketopiperazine belongs to the family of Dioxopiperazines. These are compounds containing a piperazine ring bearing two ketone groups. A cyclic dipeptide initially described in both the hypothalamus and cerebral tissues, has been detected in various sites outside the central nervous system, including the gastrointestinal tract and, D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors D020011 - Protective Agents > D000975 - Antioxidants D049990 - Membrane Transport Modulators
Annuolide B
Annuolide B is found in fats and oils. Annuolide B is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Annuolide B is found in fats and oils.
cyclic 3-Hydroxymelatonin
This compound belongs to the family of Pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole.
2-Oxomelatonin
2-Oxomelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Deoxycholylmethionine
Deoxycholylmethionine belongs to a class of molecules known as bile acid-amino acid conjugates. These are bile acid conjugates that consist of a primary bile acid such as cholic acid, doxycholic acid and chenodeoxycholic acid, conjugated to an amino acid. Deoxycholylmethionine consists of the bile acid deoxycholic acid conjugated to the amino acid Methionine conjugated at the C24 acyl site.Bile acids play an important role in regulating various physiological systems, such as fat digestion, cholesterol metabolism, vitamin absorption, liver function, and enterohepatic circulation through their combined signaling, detergent, and antimicrobial mechanisms (PMID: 34127070). Bile acids also act as detergents in the gut and support the absorption of fats through the intestinal membrane. These same properties allow for the disruption of bacterial membranes, thereby allowing them to serve a bacteriocidal or bacteriostatic function. In humans (and other mammals) bile acids are normally conjugated with the amino acids glycine and taurine by the liver. This conjugation catalyzed by two liver enzymes, bile acid CoA ligase (BAL) and bile acid CoA: amino acid N-acyltransferase (BAT). Glycine and taurine bound BAs are also referred to as bile salts due to their decreased pKa and complete ionization resulting in these compounds being present as anions in vivo. Unlike glycine and taurine-conjugated bile acids, these recently discovered bile acids, such as Deoxycholylmethionine, are produced by the gut microbiota, making them secondary bile acids (PMID: 32103176) or microbially conjugated bile acids (MCBAs) (PMID: 34127070). Evidence suggests that these bile acid-amino acid conjugates are produced by microbes belonging to Clostridia species (PMID: 32103176). These unusual bile acid-amino acid conjugates are found in higher frequency in patients with inflammatory bowel disease (IBD), cystic fibrosis (CF) and in infants (PMID: 32103176). Deoxycholylmethionine appears to act as an agonist for the farnesoid X receptor (FXR) and it can also lead to reduced expression of bile acid synthesis genes (PMID: 32103176). It currently appears that microbially conjugated bile acids (MCBAs) or amino acid-bile acid conjugates are only conjugated to cholic acid, deoxycholic acid and chenodeoxycholic acid (PMID: 34127070). It has been estimated that if microbial conjugation of bile acids is very promiscuous and occurs for all potential oxidized, epimerized, and dehydroxylated states of each hydroxyl group present on cholic acid (C3, C7, C12) in addition to ring orientation, the total number of potential human bile acid conjugates could be over 2800 (PMID: 34127070).
2,5,9-Trimethyl-11-oxotricyclo[6.3.0.01,5]undec-3-ene-3-carboxylic acid
8-Cyclopentyl-1,3-dimethylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists 8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].
Atractylenolide III
Micheliolide
[4]-Shogaol
[4]-shogaol is a member of the class of compounds known as shogaols. Shogaols are ginger derivatives containing a shogaol moiety, which consists of a benzene ring bearing a dec-4-en-3-one moiety, a methoxyphenyl group, a hydroxyl group and at positions 1, 3, and 4, respectively. [4]-shogaol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). [4]-shogaol can be found in ginger, which makes [4]-shogaol a potential biomarker for the consumption of this food product.
Reynosin
Reynosin belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Reynosin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Reynosin can be found in sweet bay, which makes reynosin a potential biomarker for the consumption of this food product.
Anthecotulide
Anthecotulide is a member of the class of compounds known as terpene lactones. Terpene lactones are prenol lipids containing a lactone ring. Anthecotulide is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Anthecotulide can be found in german camomile, which makes anthecotulide a potential biomarker for the consumption of this food product.
Cichoriolide A
Cichoriolide a belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Cichoriolide a is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Cichoriolide a can be found in chicory, which makes cichoriolide a a potential biomarker for the consumption of this food product.
Arteannuin
Arteannuin B is a natural product found in Artemisia apiacea, Artemisia annua, and Artemisia carvifolia with data available. Arteannuin B co-occurs with artemisinin, which is the potent antimalarial principle of the Chinese medicinal herb Artemisia annua (Asteraceae)[1]. Arteannuin B shows anti-SARS-CoV-2 potential with an EC50 of 10.28 μM[2]. Arteannuin B co-occurs with artemisinin, which is the potent antimalarial principle of the Chinese medicinal herb Artemisia annua (Asteraceae)[1]. Arteannuin B shows anti-SARS-CoV-2 potential with an EC50 of 10.28 μM[2].
Carabron
Carabrone is a natural product found in Syncretocarpus sericeus, Carpesium abrotanoides, and other organisms with data available.
Ligustilone
Bisabolangelone is a natural product found in Ostericum grosseserratum, Angelica pubescens, and Angelica biserrata with data available. Bisabolangelone, a sesquiterpene derivative, is isolated from the roots of Osterici Radix. Bisabolangelone possesses anti-inflammatory properties, which inhibits LPS-stimulated inflammation through the blocking of NF-kappaB and MAPK pathways in macrophages. Bisabolangelone has anti-ulcer activities[1][2]. Bisabolangelone, a sesquiterpene derivative, is isolated from the roots of Osterici Radix. Bisabolangelone possesses anti-inflammatory properties, which inhibits LPS-stimulated inflammation through the blocking of NF-kappaB and MAPK pathways in macrophages. Bisabolangelone has anti-ulcer activities[1][2].
Douglanin
7alpha-Hydroxyfrullanolide
Hypnophilin
[Raw Data] CBA38_Hypnophilin_pos_40eV_1-3_01_1725.txt [Raw Data] CBA38_Hypnophilin_pos_30eV_1-3_01_1724.txt [Raw Data] CBA38_Hypnophilin_pos_20eV_1-3_01_1723.txt [Raw Data] CBA38_Hypnophilin_pos_10eV_1-3_01_1714.txt
Taurin
[3aS-(3aR*,5E,7R*,10E,11aR*)]-3a,4,7,8,9,11a-Hexahydro-7-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
15-Hydroxyisoalloalantolactone
Telekin
Telekin is a sesquiterpene lactone. Telekin is a natural product found in Calea jamaicensis, Carpesium abrotanoides, and other organisms with data available.
1,6-Dimethyl-4-isopropyl-7-hydroxytetralin-5,8-dione
Arbusculin C
[3aR-(3aalpha,5alpha,7aalpha,8alpha,9abeta)]-3a,5,6,7,7a,8,9,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
2alpha-Hydroxysphaerantholide
1,1,5-Trimethyl-2-formyl-4-(3-methyl-2-butenoyloxy)-2,5-cyclohexadiene
[3S-(3alpha,3aalpha,6alpha,6aalpha,9aalpha,9bbeta)]-Decahydro-3-methyl-9-methylene-spiro[azuleno[4,5-b]furan-6(2H),2-oxiran]-2-one
Carabrone
Shizukolidol
1-Oxo-4(15),11(13)-eudesmadien-12-oic acid
3alpha,4alpha-Epoxy-11betaH-guaia-10(14)-en-6alpha,12-olide
3beta-Hydroxyxanthanodiene
3-Hydroxy-4,6,6-trimethyl-1,4-Cyclohexadiene-1-carboxaldehyde 2-methylcrotonate
Kanshone C
Kanshone C is a natural product found in Nardostachys jatamansi with data available. Kanshone C is a sesquiterpenoid of Nardostachys chinensis roots[1].
3,5,8-Trimethyl-3a,7,7a,8,9,9a-hexahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione #
2alpha-Hydroxyxanthanodiene
4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Tessaric acid
5-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
7,9a-dimethyl-4-methylidenedecahydro-3H-oxireno[7,8]naphtho[8a,1-b]furan-3-one
4alpha-Hydroxyguaia-10(14),11(13)-dien-12,6a-olide
2,6-dihydroxy-5-isopropyl-3,8-dimethyl-tetralin-1-one
Rothin A
Splendolide
Emmotin F
3-Oxo-9,11(13)-eremophiladien-12-oic acid
[3S-(3R*,3aR*,10E,11aR*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione
[3aR-(3aalpha,4abeta,5beta,6beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-6-hydroxy-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
1beta,10beta-Epoxyeremophil-11(13)-en-12,8beta-olide
1alpha-Hydroxy-5alpha,11betaH-guaia-3,10(14)-dien-6alpha,12-olide
(E)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,5,6,8a-Octahydro-4a,8-dimethyl-alpha-methylene-6-oxo-2-naphthaleneacetic acid
8,9-Epoxy-8,9-secoglechomonolide
(2S-cis)-1,2,3,4,4a,5,6,7-Octahydro-4a,8-dimethyl-alpha-methylene-4-oxo-2-naphthaleneacetic acid
[R-(E)]-6-(4-Formyl-3-cyclohexen-1-yl)-2-methyl-2,6-heptadienoic acid
3-Oxocostusic acid
[3aR-(3aalpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
[3aR-(3aR*,5E,8R*,9E,11aS*)]-3a,4,7,8,11,11a-Hexahydro-8-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
10alpha-Hydroxyeremophila-1,11(13)-dien-12,8beta-olide
[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5,8a-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
[4aS-(4aalpha,5alpha,8abeta,9abeta)]-4a,6,7,8a,9,9a-Hexahydro-3,5,8a-trimethylnaphtho[2,3-b]furan-2,8(4H,5H)-dione
6,7-Dehydrovernopolyanthofuran
ent-7alpha-Hydroxydipophyllolide
9beta-Hydroxytournefortiolide
3,5-Dihydro-8-hydroxy-5-isopropyl-2,7-dimethyl-1-benzoxepin-4(2H)-one
2alpha-hydroxy-eudesm-3,11(13)-dien-12,8beta-olide
(Z)-5-(2,6-Dimethyl-5,7-octadienyl)-3-furancarboxylic acid
5-Epitelekin
Graveolide
A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. It has been isolated from the aerial parts of Inula hupehensis.
[3aS-(3aalpha,5aalpha,6alpha,9balpha)]- 3a,4,5,5a,6,7,8,9b-Octahydro-6-hydroxy-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
Finitin
[3aR-(3aalpha,4aalpha,5alpha,7abeta,9abeta)]-3a,4,4a,5,6,7,7a,9a-Octahydro-5-hydroxy-5,8-dimethyl-3-methylene-azuleno[6,5-b]furan-2(3H)-one
[3R-(3R*,3aS*,10E,11aS*)]-3a,5,6,8,9,11a-Hexahydro-3,10-dimethyl-6-methylene-cyclodeca[b]furan-2,7(3H,4H)-dione
(2S-trans)-4-Methyl-1-(2,3,4,5-tetrahydro-5-methyl[2,3-bifuran]-5-yl)-3-penten-2-one
[3aS-(3aR*,6Z,8R*,10Z,11aS*)]-3a,4,5,8,9,11a-Hexahydro-8-hydroxy-6,10-dimethyl-3-methylenecyclodeca[b]furan-2(3H)-one
[3aR-(3aR*,4R*,6E,10E,11aS*)]-3a,4,5,8,9,11a-hexahydro-4-hydroxy-6,10-dimethyl-3-methylene-Cyclodeca[b]furan-2(3H)-one
Neobritannilactone B
Rupestonic acid
Rupestonic acid, a sesquiterpene, can inhibit influenza virus[1].
lyratol D
A sesquiterpene lactone that is butan-4-olide substituted by geminal methyl groups at position 5 and a 4-hydroxy-2,6-dimethylbenzyl group at position 4. Isolated from Solanum lyratum, it exhibits cytotoxicity against human cancer cell lines.
(3alpha, 6beta)-Furanoeremophil-1(10)-ene-3, 6-diol
(-)-dihydroxanthatin|11alpha,13-dihydroxanthatin|11alpha,13-dihydroxanthin
(6beta,10betaH)-6-Hydroxyfuranoeremophilan-9-one|6beta-hydroxy-10betaH-furanoeremophil-9-one
Angelicasaeure-(3-formyl-2,4,4-trimethyl-2,5-cyclohexadien-1-ylester)
(1R*,2R*,4R*)-1,2,3,4-tetrahydro-6-(3-hydroxyprop-1-en-2-yl)-4,5-dimethylnaphthalene-1,2-diol|tuberculariol B
(6S,9E,11aR)-7,8,11,11a-tetrahydro-3,6,10-trimethylcyclodeca[b]furan-2,5(4H,6H)-dione|curdionolide B
8beta-hydroxy-9,10-dehydroeremophilenolide|8beta-hydroxy-eremophil-7(11),9(10)-dien-12,8-olide|eremophilanolide
9-Oxo-11beta,13-dihydrotournefortiolide|9-oxo-6,7alphaH,11betaH-eudesm-4-en-6,12-olide
(2S,4R,5S,6R,7R,11S)-2,12-dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone
2-[(8R*)-7,8-dihydro-1,8-dimethylnaphthalen-2-yl]propane-1,2,3-triol|tuberculariol A
8-oxo-alpha-humula-6E,9E-dien-12-oic acid|8-Oxo-??-humula-6E,9E-dien-12-oic acid|humula-1(10)E,4Z,7E-trien-9-on-15-oic acid
(1aS,2R,7S,7aS)-1a,2,7,7a-tetrahydro-2,5-dimethyl-7-(1-methylethyl)naphth[2,3-b]oxirene-2,4-diol|(8beta,9beta,10beta)-8,9-epoxycalamenene-3,10-diol
11alpha,13-Dihydro-(4beta,5alpha,8alpha,10beta)-3-Oxo-1,11(13)-guaiadien-12,8-olide|11alpha,13-Dihydrothieleanin
(2Z)-2-methylbut-2-enoic acid 2-(2-hydroxy-1-methylethyl)-5-methyphenyl ester|9-hydroxythymol 3-O-angelate
2-(2-(4,4-Dimethyl-cyclopentenyl)propyl)-3-formyl-but-2-en-4-olide
3beta-hydroxygermacra-trans,trans-1(10),4-dien-trans-8,12-olide
Benzo[e]isobenzofuran-1,4-dione,1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl
(E,E)-form-6-(1,3-Dimethyl-1,3-hexadienyl)-4-methoxy-3-methyl-2H-pyran-2-one,9CI|7-Methyl-cyercene-2
(1(10)E,4E,6beta,8beta)-8-Hydroxy-1(10),4,11(13)-germacratrien-12,6-olide
3a,4a,5,7,8,8a,9,9a-Octahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
(6alpha,8beta)-8-Hydroxy-3,11(13)-dudesmadien-12,6-olide
10beta,13-dihydroxy-marasm-7(8)-en-5-oic acid gamma-lactone|10??-form-10-Hydroxy-7-marasmen-5, 14-olide
(S)-5-formyl-4,6,6-trimethylcyclohexa-2,4-dienyl angelate
(-)-(4S,7S,10S)-2-oxo-guaia-1(5),11(13)-dien-12-oic acid
1-oxoeudesm-11(13)-eno-12,8alpha-lactone|rel-(3aR,4aS,5S,8aR,9aS)-octahydro-5,8a-dimethyl-3-methylidenenaphtho[2,3-b]furan-2,8(3H,4H)-dione
Crenulatin
Crenulatin is a natural product found in Ferula sinaica, Nolina microcarpa, and other organisms with data available. Crenulatin is a gallotannin that can be isolated from Rhodiola rosea. Crenulatin can be used as a biomarker to identify potentially adulterated R. rosea products. Crenulatin has dual- direction effects on apoptosis of cerebral microvascular endothelial cells, via regulating Fas/Bcl-2 expression and caspase-3 activity[1][2][3]. Crenulatin is a gallotannin that can be isolated from Rhodiola rosea. Crenulatin can be used as a biomarker to identify potentially adulterated R. rosea products. Crenulatin has dual- direction effects on apoptosis of cerebral microvascular endothelial cells, via regulating Fas/Bcl-2 expression and caspase-3 activity[1][2][3].
1-O-(3-methylbut-3-enyl)-beta-D-glucopyranose|1-O-(3-methylbut-3-en-1-yl)-beta-D-glucopyranose
3-Acetoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-on|3-acetoxy-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one|N-O-Acetylcytisine
Methyl glycoside,2,3-O-isopropylidene,6-Me-Talose,
1-Butoxy-6-(hydroxymethyl)-2-oxabicyclo(4.1.0)heptane-4,5,7-triol
8-Cyclopentyl-1,3-dimethylxanthine
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists 8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].
8-Cyclopentyltheophylline
8-Cyclopentyl-1,3-dimethylxanthine (Compound 2a) is a selective adenosine A1 receptor antagonist with Kis of 10.9 nM and 1440 nM for A1 receptor and A2 receptor, respectively[1].
Met-val
A dipeptide formed from L-methionine and L-valine residues.
Val-met
A dipeptide formed from L-valine and L-methionine residues.
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
ascr#9
An (omega-1)-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (4R)-4-hydroxypentanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematodes Caenorhabditis elegans and Pristionchus pacificus.
oscr#9
An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 5-hydroxypentanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.
3a-(Trifluoromethyl)decahydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-1-one
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-1-ylmethanone
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
3-[3-(2-ETHOXYCARBONYL-ETHOXY)-PROPOXY]-PROPIONICACID
TERT-BUTYL 3-(HYDROXYMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE
Amobarbital Sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
5-METHOXY-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
TERT-BUTYL 5-AMINO-2-AZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE HYDROCHLORIDE
2-(Benzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C13H17BO4 (248.12198320000002)
2-(1-(4-FLUOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
5-Carbamoylpyridine-3-boronic acid pinacol ester
C12H17BN2O3 (248.13321620000002)
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
C13H17BO4 (248.12198320000002)
1-Isopentyl-7-methyl-1H-pyrido[2,3-d][1,3]oxazine-2,4-dione
ISOPENTYL 3-AMINOFURO[2,3-B]PYRIDINE-2-CARBOXYLATE
(2S,3R)-Ethyl 3-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dihydroxy-2-methylpropanoate
2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1-carbonitrile
(1S,4S)-TERT-BUTYL 2,5-DIAZABICYCLO[2.2.2]OCTANE-2-CARBOXYLATE HYDROCHLORIDE
TERT-BUTYL 3-(HYDROXYMETHYL)-1H-INDAZOLE-1-CARBOXYLATE
1,1,3,3-TETRAMETHYL-1-(3-(OXIRAN-2-YLMETHOXY)PROPYL)DISILOXANE
4-Pyridinecarbonitrile,3,5-bis(trimethylsilyl)-(9CI)
1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
1-(4-Methoxybutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
5-hydroxy-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
C13H17BO4 (248.12198320000002)
4-Carboxyphenylboronic Acid Pinacol Ester
C13H17BO4 (248.12198320000002)
TERT-BUTYL 5-(HYDROXYMETHYL)-1H-BENZO[D]IMIDAZOLE-1-CARBOXYLATE
(S)-3-amino-1-(4-methoxybenzyl)piperidine-2,6-dione hydrochloride
3-Cyanopyridine-5-boronic acid pinacol ester
C12H17BN2O3 (248.13321620000002)
6,7-dimethoxy-N~2~,N~2~-dimethylquinazoline-2,4-diamine
2-Carboxyphenylboronic acid, pinacol ester
C13H17BO4 (248.12198320000002)
5-Acrylamido-2-((dimethylamino)methyl)phenylboronic acid
C12H17BN2O3 (248.13321620000002)
ethyl 6-(tert-butyl)-3-cyano-2-hydroxyisonicotinate
1-(4,7-dimethylpyrazolo[5,1-c][1,2,4]triazin-3-yl)ethan-1-one
tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate
N-methoxy-N-methyl-3-propan-2-ylbenzotriazole-5-carboxamide
1-(4-(DIMETHYLAMINO)PHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
1-(2-HYDROXY-ETHYL)-2-METHYL-1H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
[4-(4-Acetyl-1-piperazinyl)phenyl]boronic acid
C12H17BN2O3 (248.13321620000002)
1-(8b-Hydroxy-7-methoxy-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl)ethanone
(4R)-4-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoic acid
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoic acid
N-(2-(2-Hydroxy-5-methoxy-1H-indol-3-yl)ethyl)acetamide
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Atractylenolide-III
Atractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells. Atractylenolide-III is the main component of Atractylodes rhizome and has the activity of inducing apoptosis in lung cancer cells.
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside
(E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside is found in herbs and spices. (E)-2-Methyl-2-buten-1-ol O-beta-D-Glucopyranoside occurs in fennel. Occurs in fennel. Tiglic alcohol glucoside is found in herbs and spices.
CID 23697378
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
[(2R)-3-carboxy-2-(2-carboxyacetyl)oxypropyl]-trimethylazanium
3-ethyl-5-[(2E)-2-(2-fluorobenzylidene)hydrazinyl]-4H-1,2,4-triazol-4-amine
C11H13FN6 (248.11856699999998)
N-hydroxyhexahomomethioninate
Conjugate base of N-hydroxyhexahomomethionine.
3-Carboxylato-2-(carboxyacetyloxy)-N,N,N-trimethyl-1-propaneaminium
[(2S)-3-carboxy-2-(2-carboxyacetyl)oxypropyl]-trimethylazanium
1-(2-Chloroethyl)-3-(4-methylcyclohexyl)-1-(oxidoamino)urea
(2S)-2-amino-6-[[(3R)-3,4-dihydroxy-2-oxobutyl]amino]hexanoic acid
C10H20N2O5 (248.13721500000003)
1,3-dimethyl-7-(3-methylbut-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-Ethyl-3,4-dihydro-2(1H)-quinoxalinone, TMS derivative
(E)-1-Chlorodimethylsilyl-1-trimethylsilyl-3,3-dimethyl-1-butene
Pentobarbital sodium
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators
2-hydroxymelatonin
A member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants.
{4,4-dimethyl-4ah,5h,6h,8ah,9h-naphtho[2,3-b]furan-7-yl}methanethiol
4-{n-[(2s)-1,1-dihydroxy-3-methylbutan-2-yl]-(c-hydroxycarbonimidoyl)amino}butanoic acid
C10H20N2O5 (248.13721500000003)
3,4,5-trihydroxy-6-methyloxan-2-yl 3-methylbutanoate
2-(hydroxymethyl)-6-[(2-methylbut-3-en-2-yl)oxy]oxane-3,4,5-triol
3,7-Dimethyl-6,7-di(methylthio)octanal
C12H24OS2 (248.12684939999997)
{"Ingredient_id": "HBIN007799","Ingredient_name": "3,7-Dimethyl-6,7-di(methylthio)octanal","Alias": "NA","Ingredient_formula": "C12H24OS2","Ingredient_Smile": "CC(CCC(C(C)(C)SC)SC)CC=O","Ingredient_weight": "248.5 g/mol","OB_score": "44.73114344","CAS_id": "NA","SymMap_id": "SMIT05527","TCMID_id": "NA","TCMSP_id": "MOL003464","TCM_ID_id": "NA","PubChem_id": "6421485","DrugBank_id": "NA"}