Exact Mass: 248.1511
Exact Mass Matches: 248.1511
Found 500 metabolites which its exact mass value is equals to given mass value 248.1511,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
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.
Tomentosin
Tomentosin is a sesquiterpene lactone. Tomentosin is a natural product found in Apalochlamys spectabilis, Leucophyta brownii, and other organisms with data available.
Pindolol
Pindolol is only found in individuals that have used or taken this drug. It is a moderately lipophilic beta blocker (adrenergic beta-antagonists). It is non-cardioselective and has intrinsic sympathomimetic actions, but little membrane-stabilizing activity. (From Martindale, The Extra Pharmocopoeia, 30th ed, p638)Pindolol non-selectively blocks beta-1 adrenergic receptors mainly in the heart, inhibiting the effects of epinephrine and norepinephrine resulting in a decrease in heart rate and blood pressure. By binding beta-2 receptors in the juxtaglomerular apparatus, Pindolol inhibits the production of renin, thereby inhibiting angiotensin II and aldosterone production and therefore inhibits the vasoconstriction and water retention due to angiotensin II and aldosterone, respectively. C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents CONFIDENCE standard compound; INTERNAL_ID 4098 CONFIDENCE standard compound; INTERNAL_ID 2663 Pindolol (LB-46) is a nonselective β-blocker with partial beta-adrenergic receptor agonist activity, also functions as a 5-HT1A receptor weak partial antagonist (Ki=33nM).
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).
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
(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.
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.
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.
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).
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
Atractylenolide III
Bunitrolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
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].
ACETIC ACID, (2-(3,6-DIAMINO-5-HYDROXYHEXANOYL)-1-METHYLHYDRAZINO)-
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
[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 #
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
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
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
(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
(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
(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
10alpha-hydroxy-1alpha,5alphaH-guaia-3,7(11)-dien-8alpha,12-olide
10(14)-dehydro-4H-tomentosin|10-Deoxy,10,14-didehydro-(4xi,8beta,10alpha)-4,10-Dihydroxy-4,5-seco-1(5),11(13)-guaiadien-12,8-olide
2beta-hydroxy-8-desoxy-11alpha,13-dihydrorupicolin B
Arborescin
An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is arglabin in which the exocyclic double bond has been reduced to a single bond. It is found in Artemesia adamsii.
(E,E)-form-6-(1,3-Dimethyl-1,3-hexadienyl)-2-methoxy-3-methyl-4H-pyran-4-one|7-methylcyercene B|7-Methylcyercene-B
(3aS,5aS,8S,9aS)-4,5,5a,6,7,8,9,9a-octahydro-9a-hydroxy-1,8-dimethyl-5-methylenenaphtho[2,1-b]furan-2-(3aH)-one|(8alpha)-6,8-dihydroxycadina-7(11),10(15)-dien-12-oic acid gamma-lactone
anhydro deconjugated lactarorufin A|anhydrolactafurin A
3-oxo-11alpha-H-germacra-1(10)E,4Z-dien-12,6alpha-olide
methyl 2-O-(11-dodecene-2,4-diynyl)-2-hydroxy ethanoate|methyl montiporate C
2,3-dihydroisoambrosin|6beta-hydroxy-4-oxo-10alphaH-ambros-7(11)-en-12-oic acid-lactone|6beta-Hydroxy-4-oxo-10alphaH-ambros-7(11)-en-12-saeure-lacton|Isodamsin
(1S)-2,6,6-trimethyl-4-oxobicyclo[3.1.1]hept-2-enyl-(2E)-2-methylbut-2-enoate|1-angeloyloxyverbenone|ferulagone
(2xi,8xi,10xi)-2-Hydroxy-4(15),7(11)-eudesmadien-12,8-olide|Commiferin
4beta,10beta-epoxy-1alpha(H),5alpha(H)-guai-11(13)-en-8alpha,12-olide
15-Aldehyde-15-Hydroxy-3,11(13)-eudesmadien-12-oic acid
(4aSR,8RS,8aRS,9aSR)-4a,7,8,8a,9,9a-hexahydro-8-hydroxy-3,5,8a-trimethylnaphtho[2,3-b]furan-2(4H)-one|1beta-hydroxyeudesma-3(4),7(11)-dien-12,8alpha-olide|serralactone A|serralactone A
11-dodecene-2,4-diynyl methoxyacetate|Methoxyacetate-11-Dodecene-2,4-diyn-1-ol
2-hydroxy-9,11-dimethyl-10-methylene-3-oxatricyclo<7.3.1.02,6>tridec-5-en-4-one
7alpha,8alpha-epoxy-12-hydroxy-9-one-eudesm-4(15),11(13)-diene|petrovin A
(4R)-4,5-dihydro-4-(3-hydroxy-2,6-dimethylbenzyl)-5,5-dimethylfuran-2(3H)-one|lycifuranone A
2,3-Dihydro-3,5-dimethyl-6-(4-oxopentyl)benzofuran-2-ol
1-oxo-eudesm-4(15)-en-5alpha,6beta,7alpha,11betaH-12,6-olide
(4R,5S,6R,7R,11S)-2-oxo-1(10)-aromadendren-12-oic acid
(5beta,7beta,8alpha,10alpha)-7-Hydroxy-3,11(13)-eudesmadien-12,8-olide|ent-7alpha-hydroxydiplophyllolide
2,2,6,9-tetramethyl-3,6-dihydro-2H-1-benzoxocine-3,8-diol
Ivangustin
Ivangustin is a natural product found in Pentanema britannicum, Inula japonica, and Eriocephalus africanus with data available.
IJ-5 compound
1beta-Hydroxyalantolactone is a sesquiterpene lactone. 1beta-Hydroxyalantolactone is a natural product found in Pentanema britannicum, Inula japonica, and Inula helenium with data available. 1beta-Hydroxyalantolactone modulate many processes that influence inflammatory reactions[1]. 1beta-Hydroxyalantolactone modulate many processes that influence inflammatory reactions[1].
Inuviscolide
Inuviscolide is a sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, a methyl group at position 5 and methylidene groups at positions 3 and 8 (the 3aR,4aR,5R,7aS,9aS stereoisomer). Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity. It has a role as an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, an organic heterotricyclic compound, a sesquiterpene lactone and a tertiary alcohol. Inuviscolide is a natural product found in Helichrysum dasyanthum, Pulicaria incisa, and other organisms with data available. A sesquiterpene lactone that is decahydroazuleno[6,5-b]furan-2(3H)-one substituted by a hydroxy group at position 5, a methyl group at position 5 and methylidene groups at positions 3 and 8 (the 3aR,4aR,5R,7aS,9aS stereoisomer). Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity.
Reynosin
Reynosin is a sesquiterpene lactone of the eudesmanolide group, found particularly in Magnolia grandiflora and Laurus nobilis. It has a role as a metabolite. It is a sesquiterpene lactone and an organic heterotricyclic compound. Reynosin is a natural product found in Centaurea uniflora, Eupatorium capillifolium, and other organisms with data available. A sesquiterpene lactone of the eudesmanolide group, found particularly in Magnolia grandiflora and Laurus nobilis.
Arteannuin B
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].
Atractylenolide III
Annotation level-1 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.
MLS001048956-01!1-(6-methylsulfinylhexyl)-3-propan-2-ylurea
3-(hydroxymethyl)-2-methyl-6-[(E)-pent-3-enyl]-2,3-dihydro-1-benzofuran-4-ol
7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
C15H20O3_(2R,5S,9R,12R)-13,13-Dimethyl-7-oxatetracyclo[7.5.0.0~1,5~.0~2,12~]tetradecane-4,8-dione
C15H20O3_Cycloprop[e]indene-1a(1H)-carboxylic acid, 2-formyl-3a,4,5,6,6a,6b-hexahydro-5,5,6b-trimethyl-, (1aS,3aS,6aS,6bR)
C15H20O3_Bisoxireno[4,5:8,9]cyclodeca[1,2-b]furan, 1a,2,6,6a,7a,8,9,9a-octahydro-1a,5,7a-trimethyl
C15H20O3_(3aR,4aR,8aR,9aR)-4a-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one
C15H20O3_(9E)-3,6,10-Trimethyl-7,8,11,11a-tetrahydrocyclodeca[b]furan-2,5(4H,6H)-dione
C15H20O3_5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-3,8-dimethyl-alpha-methylene-2-oxo-, (5R,8S,8aS)
C15H20O3_(2E)-6-Hydroxy-2-methyl-6-(4-methylphenyl)-2-heptenoic acid
C15H20O3_Azuleno[6,5-b]furan-2,5-dione, decahydro-4a,8-dimethyl-3-methylene-, (3aR,4aS,7aS,8R,9aS)
2-Hydroxyalantolactone
2-[[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid
(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione
(3aR,8R,8aR,9aR)-8-hydroxy-8a-methyl-3,5-dimethylidene-3a,4,4a,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
(3aR,5aR,9bR)-3a-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2-one
pindolol
C - Cardiovascular system > C07 - Beta blocking agents > C07A - Beta blocking agents > C07AA - Beta blocking agents, non-selective C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Pindolol (LB-46) is a nonselective β-blocker with partial beta-adrenergic receptor agonist activity, also functions as a 5-HT1A receptor weak partial antagonist (Ki=33nM).
Pterosin A
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 35 INTERNAL_ID 35; CONFIDENCE Reference Standard (Level 1)
(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione_major
(3aS,5R,5aS,8aS,9aR)-5,8a-dimethyl-1-methylidene-3a,4,5,5a,6,7,9,9a-octahydroazuleno[6,7-b]furan-2,8-dione_81.6\\%
2-Piperidinecarboxamide, N-(3-hydroxy-2,6-dimethylphenyl)-, (S)-
TERT-BUTYL (1,2,3,4-TETRAHYDROQUINOLIN-3-YL)CARBAMATE
1-(n-benzyloxycarbonyl)-trans-cyclohexane-1,2-diamine
tert-butyl 5,6,7,8-tetrahydroquinolin-8-ylcarbamate
3,5-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pheno l
ethyl 1-(pyridin-2-ylmethyl)piperidine-4-carboxylate
TERT-BUTYL (1,2,3,4-TETRAHYDROQUINOLIN-4-YL)CARBAMATE
N-(4-HYDROXY-3-(1-PIPERIDINYLMETHYL) PHENYL)ACETAMIDE
N-(cyclopropylmethyl)-3-methyl-4-nitro-N-propylaniline
TERT-BUTYL 4-AMINO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
4-HYDROXY-3,5-DIMETHYLPHENYLBORONIC ACID PINACOL ESTER
3-AMINO-1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER
9,10-Dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
2-Methyl-2-propanyl 5,6,7,8-tetrahydro-9H-pyrido[2,3-b]azepine-9- carboxylate
Carbamic acid, (4-aminocyclohexyl)-, phenylmethyl ester (9CI)
tert-Butyl 4-amino-3,4-dihydroquinoline-1(2H)-carboxylate
1-(4-(4-AMINO-3-METHOXYPHENYL)PIPERIDIN-1-YL)ETHANONE
4-(4-HYDROXY-PIPERIDIN-1-YL)-BENZIMIDIC ACID ETHYL ESTER
4-(Hydroxymethyl)-3-methylphenylboronic Acid Pinacol Ester
4-Amino-3-methyl-1-piperidinecarboxylic acid benzyl ester
1-Pyrrolidinecarboxylic acid, 3-(4-pyridinyl)-, 1,1-dimethylethyl ester
tert-Butyl 5-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
TERT-BUTYL (1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL)CARBAMATE
3-(4-METHYL-[1,4]DIAZEPAN-1-YLMETHYL)-BENZOIC ACID
benzyl (3R)-3-(dimethylamino)pyrrolidine-1-carboxylate
2-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol
Acetamide,N,N-[(4,6-dimethyl-1,3-phenylene)bis(methylene)]bis- (9CI)
ETHYL 4-(PYRIDIN-4-YLMETHYL)PIPERAZINE-1-CARBOXYLATE
N-[4-[3-(dimethylamino)-2-methylpropanoyl]phenyl]acetamide
2-ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
1-(4-(4-(2-Hydroxyethyl)piperazin-1-yl)phenyl)ethanone
(4-ETHOXY-BENZYL)-(1-METHYL-1H-BENZOIMIDAZOL-5-YL)-AMINE
tert-butyl 3-(5-methylpyridin-2-yl)azetidine-1-carboxylate
5-AMino-2-Methyl-piperidine-1-carboxylic acid benzyl ester
tert-butyl 7-(aminomethyl)-2,3-dihydroindole-1-carboxylate
7-Methyl-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester
benzyl (3S)-3-(dimethylamino)pyrrolidine-1-carboxylate
L-NMMA acetate
C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor
Piperidin-3-ylmethyl-carbamic acid benzyl ester hydrochloride
tert-butyl 5-(aminomethyl)-2,3-dihydro-1H-isoindole-2-carboxylate
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-5-YL)-CARBAMIC ACID TERT-BUTYL ESTER
tert-Butyl 7-amino-3,4-dihydroquinoline-1(2H)-carboxylate
TERT-BUTYL 1,2,3,4-TETRAHYDROISOQUINOLIN-7-YLCARBAMATE
(2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol
(2S,5R)-Benzyl 5-amino-2-methylpiperidine-1-carboxylate hydrochloride
1-Piperidinecarboxylic acid, 3-amino-2-methyl-, phenylmethyl ester, (2R,3R)-
3-Methoxy-4-methylphenylboronic acid, pinacol ester
2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANOL
1-Piperidinecarboxylic acid, 5-amino-2-Methyl-, phenylmethyl est
tert-Butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
(5-AMINO-INDAN-2-YL)-CARBAMIC ACID TERT-BUTYL ESTER
4-[2-(4-Methyl-piperazin-1-yl)-ethoxy]-benzaldehyde
1-(2-FURYLMETHYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
3-(METHOXYMETHYL)PHENYLBORONIC ACID, PINACOL ESTER
tert-Butyl 6-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
1-(4-AMINOMETHYL-PHENYL)-PIPERIDINE-4-CARBOXYLICACIDETHYLESTER
4-PIPERIDINECARBOXYLICACID, 1-(4-PYRIDINYLMETHYL)-, ETHYL ESTER
tert-butyl 3-(4-aminophenyl)azetidine-1-carboxylate
Etryptamine Acetate
C471 - Enzyme Inhibitor > C667 - Monoamine Oxidase Inhibitor
(S)-(-)-pindolol
l-Pindolol ((-)-pindolol) is a reversible, competitive and orally active 5-HT1A/1B antagonist. l-Pindolol is a partial β-adrenoceptor agonist. l-Pindolol can be used for the research of neurological disease[1][2][3].
Diaminomethylidene-[3-(2-methyl-1-oxopyrrolo[1,2-a]pyrazin-3-yl)propyl]azanium
[(2R)-3-carboxy-2-[(3-hydroxybutanoyl)oxy]propyl]trimethylazanium
[(2S)-3-carboxy-2-[(3R)-3-hydroxybutanoyl]oxypropyl]-trimethylazanium
[3-Carboxy-2-(3-hydroxybutanoyloxy)propyl]-trimethylazanium
3-Methyl-1-(p-tolyl)-2-(trimethylsilyloxy)-2-butene
[3-Hydroxy-2-isopropenyl-3-phenylpropyl]trimethylsilane
Bunitrolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
