Exact Mass: 248.1543
Exact Mass Matches: 248.1543
Found 500 metabolites which its exact mass value is equals to given mass value 248.1543,
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.
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).
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)
Bunitrolol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
ACETIC ACID, (2-(3,6-DIAMINO-5-HYDROXYHEXANOYL)-1-METHYLHYDRAZINO)-
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
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].
1COOH-2But-A7EO2
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
(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
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
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
(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
(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
butan-1-ol,2-methyloxirane,oxirane,prop-2-enoic acid
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
3-Piperidinecarboxamide,N-(1-methylethyl)-1-(2-pyrimidinyl)-(9CI)
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].
2-Hexyloxy-6-hydroxymethyl-tetrahydro-pyran-3,5-diol
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
