Exact Mass: 248.132
Exact Mass Matches: 248.132
Found 500 metabolites which its exact mass value is equals to given mass value 248.132,
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.
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.
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
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 .
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.
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].
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].
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
[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
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
Splendolide
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
[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].
(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
4beta,5alpha-epoxide-10alphaH-xanthan-1(2),11(13)-dien-7beta,8beta-olide
(+)-(1R)-(2Z,4E)-4-Oxo-alpha-ionylideneacetic acid|(+)-(2Z,4E)-4-Oxo-alpha-ionylideneacetic acid|(+)-deoxyabscisic acid|(+/-)-1-deoxyabscisic acid|1-deoxy-ABA|abscisic acid|Abscisin II|desoxyabscisic acid
8-oxo-11beta-H-germacra-trans,trans-1(10),4-dien-cis-6,12-olide
7-hydroxy-costunolide|7-hydroxycostunolide|7alpha-hydroxycostunolide
6,9,9-Trimethyl-9a-hydroxy-4a,7,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one
(6RS,6aRS,9aSR,9bRS)-3,3a,5,6,6a,7,9a,9b-octahydro-3a-hydroxy-6,9-dimethyl-3-methylenebenzo[de]chromen-4(2H)-one|stereumin D
(1(10)E,2beta,4E,8alpha)-2-Hydroxy-1(10),4,11(13)-germacratrien-12,8-olide
9-Ketone-9-Hydroxy-4(15),11(130-eudesmadien-12-oic acid|9-oxo costic acid
4alpha,15-dihydro-7alpha-hydroxy-3-desoxyzaluzanin C
araneosoic acid|bisabol-1(7),2,4(13),11(12)-tetraen-15-ol-14-oic acid
1-(4-methyl-2-furanyl)-2-(5-methyl-5-ethenyl-2-tetrahydrofuranyl)-propan-1-one|2-(5-Ethenyltetrahydro-5-methyl-2-furanyl)-1-(4-methyl-2-furanyl)-1-propanone
(-)-1,2-dihydroxyherberten-12-al|(1S)-3,4-dihydroxy-5-(1,2,2-trimethylcyclopentyl)benzaldehyde
7a-Hydroxy-5-isopropenyl-6-vinyl-3,6-dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one
7beta-hydroxy-4(13),7-coloratadiene-11,12-olide|7beta-hydroxy-4(13),8-coloratadien-11,12-olide
12-Hydroxy-7-marasmen-5, 14-olide|13,14-dihydroxy-marasm-7(8)-en-5-oic acid gamma-lactone
1beta-hydroxy-11(R,S)-8-oxoeremophil-6,9-dien-12-al
1-[(3-methylbut-2-enyl)oxy]-2-methoxy-4-(prop-1-en-3-ol)benzene
10betaH-8-oxoeremophil-7(11)-en-12,6beta-olide|6-Oxoisoeremophilenolid
9-(3-methylbutanoyl)-8,10-dehydrothymol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(6R)-dehydroxysipanolinolide|4-methyl-3-[(1E,3R)-6-oxo-3-(prop-1-en-2-yl)hept-1-en-1-yl]furan-2(5H)-one
mitchellene C
A sesquiterpene lactone isolated from the leaves of Eremophila mitchellii.
mitchellene A
A sesquiterpene lactone isolated from the leaves of Eremophila mitchellii.
(3S,4S)-4-hydroxy-3-(3-hydroxy-4-methylphenyl)-2,2,3-trimethylcyclopentanone|flamvelutpenoid A
(2R,3S,5S)-2,3,4,5-tetrahydro-4,4,5,8-tetramethyl-2,5-methano-1-benzoxepin-3,7-diol|flamvelutpenoid B
4alpha,5alpha-epoxyalantolactone|4alpha,5alpha-Epoxyeudesm-11-en-12,8beta-olid
4alpha,5alpha-epoxy-1(10),7(11)-dienegermacr-8alpha,12-olide
(4R,5S)-5-(3-hydroxy-2,6-dimethylphenyl)-4-isopropyldihydrofuran-2-one|limlactone
(5R,6S,7aS)-5-(3-hydroxyprop-1-en-2-yl)-3,6-dimethyl-6-vinyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one|15-hydroxy-isogermafurenolide|linderolide F
3-oxo-1,8,11alphaH-eudesm-4-en-12,8-olide|3-oxo-11alpha(H)-eudesm-4-en-8beta,13-olide|3-oxo-7,8,11alphaH-eudesm-4-en-12,8-olide|3-oxo-7alpha,11alpha(H)-eudesm-4-en-8beta,12-olide
(E)-3-((5S,7S,7aS)-3-formyl-7-methyl-2,4,5,6,7,7a-hexahydro-1H-inden-5-yl)-2-methylacrylic acid|nardin A
(4S,5R,8S)-4-hydroxyguaia-1(10),7(11)-dien-12,8-olide|multistalactone D
(1R,4S,5R,8S)-4-hydroxyguaia-7(11),10(15)-dien-12,8-olide|multistalactone E
(1beta,5beta)-1-hydroxyguaia-4(15),11(13)-dieno-12,5-lactone|rel-(4R,7S,7aS,10aS)-octahydro-7a-hydroxy-7-methyl-3,10-bis(methylene)-4,410a-methano-10aH-cyclopent[b]oxonin-2(3H)-one
(3aR?,4aR?,8aR?,9aR?)-4a-hydroxy-8a-methyl-3,8-dimethylene-3,3a,4,4a,5,6,7,8a,9,9a-decahydro-naphtho[2,3-b]furan-2-one|(5R?,7R?,8R?,10R?)-1,15-methylene-5beta-hydroxy-eudesm-1(15),11(13)-dien-8beta-12-olide|inuloxin C
(3aR?,7aR?)-6-(5-hydroxyhexan-2-yl)-3-methylen-3a,4,7,7a-tetrahydrobenzofuran-2(3H)-one|(4S, 7R?,8R?)-1,4-dimethyl-4-hydroxy-secoeudesm-5(10),11(13)-dien-8beta-12-olide|inuloxin D
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].
(2S,4R,5S,6R,7R,9S)-2,9-dihydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone
(3alpha,7??H)-3,12-Dihydroxy-9,11(13)-eremophiladien-8-one
1-O-(3-methylbut-3-enyl)-beta-D-glucopyranose|1-O-(3-methylbut-3-en-1-yl)-beta-D-glucopyranose
(3aR?,5E,10S?,11aR?)-6,10-dimethyl-3-methylene-3,3a,4,8,9,10,11,11a-octahydro-cyclodeca[b]furan-2,7-dione|(4E,7R?,8R?,10S?)-3-oxo-germacra-4,11(13)-dien-8beta-12-olide|inuloxin A|tayunin
9alpha,14-dihydroxy-iso-alpha-cedren-15-oic acid-14,15-lactone|9alpha-Hydroxy-4-isocedren-15,14-olide
(2alpha,8beta)-2-Hydroxy-4,11(13)-eudesmadien-12,8-olide|2alpha-hydroxyeudesma-4,11(13)-dien-12,8beta-olide
2alpha,13-dihydroxy-marasm-7(8)-en-5-oic acid gamma-lactone|2??-form-2-Hydroxy-7-marasmen-5, 14-olide
4-Methoxycinnamoyl isovalerate|4-methoxycinnamyl isovalerate
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].
(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.
2-Amino-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
3-[3-(2-ETHOXYCARBONYL-ETHOXY)-PROPOXY]-PROPIONICACID
TERT-BUTYL 5-AMINO-2-AZA-BICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE HYDROCHLORIDE
2-(1-(4-FLUOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(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
1,1,3,3-TETRAMETHYL-1-(3-(OXIRAN-2-YLMETHOXY)PROPYL)DISILOXANE
1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrrolo[2,3-b]pyridine
6,7-dimethoxy-N~2~,N~2~-dimethylquinazoline-2,4-diamine
5-Acrylamido-2-((dimethylamino)methyl)phenylboronic acid
tert-Butyl 4-(2-chloroethyl)piperazine-1-carboxylate
N-methoxy-N-methyl-3-propan-2-ylbenzotriazole-5-carboxamide
(4R)-4-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoic acid
5-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentanoic acid
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.
N-hydroxyhexahomomethioninate
Conjugate base of N-hydroxyhexahomomethionine.
(2S)-2-amino-6-[[(3R)-3,4-dihydroxy-2-oxobutyl]amino]hexanoic acid
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
{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
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
{"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"}
