Exact Mass: 246.1224
Exact Mass Matches: 246.1224
Found 500 metabolites which its exact mass value is equals to given mass value 246.1224,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
8-Epixanthatin
Xanthatin is a sesquiterpene lactone. Xanthatin is a natural product found in Xanthium spinosum, Dittrichia graveolens, and other organisms with data available. 8-Epixanthatin is found in fats and oils. 8-Epixanthatin is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 8-Epixanthatin is found in fats and oils. D000970 - Antineoplastic Agents
Santonin
Alpha-santonin is a santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. It has a role as a plant metabolite. It is a botanical anti-fungal agent and a santonin. Santonin is a natural product found in Artemisia spicigera, Artemisia diffusa, and other organisms with data available. Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.) See also: ... View More ... A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent ADP-ribose 1"-2" cyclic phosphate is a cyclic phosphate nucleotide that arises from tRNA processing. In eukaryotic cells, pre-tRNAs spliced by a pathway that produces a 3,5-phosphodiester, 2-phosphomonoester linkage contain a 2-phosphate group adjacent to the tRNA anticodon. This 2-phosphate is transferred to NAD to give adenosine diphosphate (ADP)-ribose 1", 2"-cyclic phosphate (Appr>p), which is subsequently metabolized to ADP-ribose 1-phosphate (Appr-1p). The latter reaction is catalyzed by a cyclic phosphodiesterase (CPDase). (PMID: 9148938). One molecule of ADP-ribose 1",2"-cyclic phosphate (Appr>p) is formed during each of the approximately 500 000 tRNA splicing events. [HMDB] Constituent of Physalis peruviana (Cape gooseberry). Withaperuvin F is found in fruits. Alkaloid found on the leaf surfaces of Brassica oleracea cv. botrytis (cauliflower) [DFC]. Cabbage identification factor 1 is found in brassicas. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2267 INTERNAL_ID 2267; CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.918 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.917 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.915 [Raw Data] CB081_Santonin_pos_30eV_CB000033.txt [Raw Data] CB081_Santonin_pos_10eV_CB000033.txt [Raw Data] CB081_Santonin_pos_40eV_CB000033.txt [Raw Data] CB081_Santonin_pos_20eV_CB000033.txt [Raw Data] CB081_Santonin_pos_50eV_CB000033.txt Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1]. Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1].
ACHILLIN
A sesquiterpene lactone that is (3R,3aS,9aS,9bS)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying three additional methyl substituents at positions 3, 6 and 9. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.984
aromaticin
A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity.
Zaluzanin C
A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and a hydroxy group at position 8.
Beta-Santonin
2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose
2,4-diacetamido-2,4,6-trideoxy-beta-L-gulopyranose
Loxoprofen
As most NSAIDs, loxoprofen is a non-selective cyclooxygenase inhibitor, and works by reducing the synthesis of prostaglandins from arachidonic acid. Loxoprofen (INN) is a non-steroidal anti-inflammatory drug in the propionic acid derivatives group, which also includes ibuprofen and naproxen among others. It is marketed in Brazil, Mexico and Japan by Sankyo as its sodium salt, loxoprofen sodium, under the trade name Loxonin, Argentina as Oxeno and in India as Loxomac. It is available in these countries for oral administration, and a transdermal preparation was approved for sale in Japan on January 2006. Loxoprofen is a prodrug. It is quickly converted to its active trans-alcohol metabolite following oral administration, and reaches its peak plasma concentration within 30 to 50 minutes. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Gamma-Glutamylvaline
gamma-Glutamylvaline is a dipeptide composed of gamma-glutamate and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylvaline belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. It is found in urine (PMID: 3782411). γ-Glutamylvaline is an activator of CaSR with anti-inflammatory activity. γ-Glutamylvaline inhibits TNF-α-induced proinflammatory cytokine production and increases Wnt5a expression. γ-Glutamylvaline activates calcium-sensing receptor pathways in adipocytes of 3T3-L1 mice and prevents low-grade chronic inflammation[1].
Isoleucyl-Aspartate
Isoleucyl-Aspartate is a dipeptide composed of isoleucine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Lacinilene C
Lacinilene C is found in fats and oils. Lacinilene C is isolated from Gossypium hirsutum (cotton) bracts. Isolated from Gossypium hirsutum (cotton) bracts. Lacinilene C is found in fats and oils.
Ipomeabisfuran
Isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Ipomeabisfuran is found in root vegetables and potato. Ipomeabisfuran is found in potato. Ipomeabisfuran is isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata.
3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate
Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate is a constituent of the seeds of Bixa orellana (annatto) Constituent of the seeds of Bixa orellana (annatto).
Annuolide A
Annuolide A is found in fats and oils. Annuolide A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Annuolide A is found in fats and oils.
2-Oxo-5,11(13)-eudesmadien-12,8-olide
2-Oxo-5,11(13)-eudesmadien-12,8-olide is found in herbs and spices. 2-Oxo-5,11(13)-eudesmadien-12,8-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 2-Oxo-5,11(13)-eudesmadien-12,8-olide is found in herbs and spices.
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran is found in beverages. 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran is a constituent of a fungus obtained from wintergreen (Gaultheria procumbens)
Glandulone A
Glandulone A is found in fats and oils. Glandulone A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Glandulone A is found in fats and oils.
Glutamylvaline
Glutamylvaline is a dipeptide composed of glutamate and valine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylvaline is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411).
Annuolide C
Annuolide C is found in fats and oils. Annuolide C is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Annuolide C is found in fats and oils.
Aspartyl-Isoleucine
Aspartyl-Isoleucine is a dipeptide composed of aspartate and isoleucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valylglutamic acid
Valylglutamic acid is a dipeptide composed of valine and glutamic acid. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Enokipodin B
Enokipodin B is found in mushrooms. Enokipodin B is a metabolite of Flammulina velutipes (velvet shank Metabolite of Flammulina velutipes (velvet shank). Enokipodin B is found in mushrooms.
L-beta-aspartyl-L-leucine
L-beta-aspartyl-l-leucine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Aspartyl-Leucine
Aspartyl-Leucine is a dipeptide composed of aspartate and leucine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Aspartate
Leucyl-Aspartate is a dipeptide composed of leucine and aspartate. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
3,12-Dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
(4R,5S)-4-Hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one
Descyclopropyl Abacavir
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
Sesquiterpenes
Sesquiterpenes 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. Sesquiterpenes is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sesquiterpenes is a bitter tasting compound found in ceylon cinnamon, pepper (spice), and potato, which makes sesquiterpenes a potential biomarker for the consumption of these food products. Sesquiterpenes are a class of terpenes that consist of three isoprene units and have the molecular formula C15H24. Like monoterpenes, sesquiterpenes may be acyclic or contain rings, including many unique combinations. Biochemical modifications such as oxidation or rearrangement produce the related sesquiterpenoids . Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1]. Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1].
Arglabin
Arglabin is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. It has a role as an antineoplastic agent and a metabolite. It is an organic heterotetracyclic compound, a gamma-lactone, an epoxide and a sesquiterpene lactone. Arglabin is a natural product found in Pentzia eenii and Artemisia myriantha with data available. An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers.
9-Oxotournefortiolide
Brachylaenolide
[3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-3a,4a,5,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
[1aR-(1aalpha,4beta,4abeta,9aS*)]-1a,2,4,4a-tetrahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5(9H)-one
(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid
[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
(1S,9S,10R,12S,13R)-13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.0^{3,7.0^{10,12]trideca-3,7-dien-5-one
Smyrnicordiolide
[3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Pinnatifidin (Helenium)
[2alpha(E),3alpha(E)]-3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
[S-(E,E)]-5,8,9,11a-Tetrahydro-3,6,10-trimethylcyclodeca[b]furan-2,4-dione
Hydroxylindestrenolide
Ursialpinolide
3-Oxodiplophyllin
(Z)-3-[4-[(3-Methyl-2-butenyl)oxy]phenyl]-2-propenoic acid methyl ester
6beta-Hydroxy-9,10-didehydrofuranoeremophilan-1-one
Chloranthalactone D
[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,8,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione
[3R-(3alpha,3aalpha,7abeta,8alpha,9aalpha)]-3,3a,7a,8,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2,7-dione
[3aR-(3aalpha,4aalpha,6beta,7aalpha,9abeta)]-Decahydro-6-hydroxy-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2(3H)-one
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Alloisosantonin
Dihydroisolinderalactone
[3aS-(3aalpha,4alpha,4aalpha,5aalpha,6aalpha,6bbeta,7abeta)]-Decahydro-4-hydroxy-6b-methyl-3,5-bis(methylene)cycloprop[2,3]indeno[5,6-b]furan-2(3H)-one
3-Oxoxanthanodiene
[4S-(4alpha,4aalpha,5alpha)]-4a,5,6,7-Tetrahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
5alpha-Hydroxy-eudesma-4(15),7(11),8(9)-trien-8,12-olide
(1E,5Z)-2-(2,6-Dimethylocta-1,5,7-trienyl)furan-4-carboxylic acid
11,14-Cyclo-14-hydroxy-1,3,5,7-bisabolatetraen-15-oic acid
Semenen
Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1]. Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1].
[2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
[2aR-(2aalpha,5aalpha,9balpha,9calpha)]-2a,3,4,5,5a,6,9b,9c-Octahydro-9,9c-dimethyl-2H-naphtho[1,8-bc:3,2-b]difuran-2-one
4alpha-Hydroxy-1alpha,5alphaH-guaia-2,10(14),11(13)-trien-12,6alpha-olide
1,4a-Dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[2,3:8,8a]azuleno[4,5-b]furan-8(4ah)-one #
8a-Methyl-3,5-bismethylene-6-hydroxy-3a,4,4a,5,6,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
rel-(1S,2S)-epoxy-(4R)-furanogermacr-10(14)-en-6-one|rel-(1S,2S,4R)-epoxyfuranogermacr-10(15)-en-6-one|rel-1S,2S-epoxy-4R-furanogermacr-10(15)-en-6-one
3-Oxo-5(10),6-pinguisadien-11,6-olide|3-oxo-pinguis-5(10),6-diene-11,6-olide
11alpha,13-dihydroyomogin|3-oxo-11alpha(H)-eudesm-1,4-dien-8beta,13-olide|3-oxo-7,8,11alphaH-eudesma-1,4-dien-12,8-olide
(+)-tuberiferin|(+)-tuberiferine|(+)-tuberifinin|3-oxoeudesma-1,11(13)-dieno-12,6alpha-lactone|5alpha,6beta,7alphaH-3-oxoeudesma-1(2),11(13)-dien-12,6-olide|eudesmanolide tuberiferin|Tuberiferine|tubiferi
(4alpha,5beta,6beta,10beta)-3-Oxo-1,7(11)-eudesmadien-12,6-olide
3-oxo-4,5alphaH,8betaH-eudesma-1,7(11)-dien-8,12-olide
2-hydroxy-4aalphaH-3,5alpha,8abeta-trimethyl-4,4a,8a,9-tetrhydronaphtho[2,3-b]furan-8(5H)-one
1alphaH,5alphaH,6betaH,7alphaH,8alpha-hydroxyguai-4(15),10(14),11(13)-trien-6,12-olide|8alpha-hydroxydehydrocostus lactone|deacylsubexpinnatin|dehydrocostus lactone
(4E)-1-Oxogermacra-4,10(14),11-trien-12,8alpha-olid
9a-Hydroxy-3,8a-dimethyl-5-methylene4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one
(6alpha,11alphaH)-1-Oxo-2,4-eudesmadien-12,6-olide|1-Oxoeudesma-2,4-dien-11alphaH-12,6alpha-olide
(1(10)E)-5-Oxogermacra-1(10),4(15),11-trien-12,8alpha-olid|<1(10)E>-5-Oxogermacra-1(10),4(15),11-trien-12,8alpha-olid
3,5-Dimethyl-6-[(5-hydroxy-5-methyltetrahydrofuran)-2-yl]benzofuran
6alpha-hydroxyguaia-1(10),4(15),11(13)-trien-8alpha,12-olide
(E)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]acrylic acid|Drupaninmonomethylether
8-oxo-7betaH-germacra-trans,trans-1(10),4,11-trien-trans-6,12-olide
3-Oxo-8alpha-eremophila-1,7-dien-8,12-olid|3-oxoeremophila-1,7(11)-dien-12,8beta-olide
(11beta)-8,11-dihydroxycadina-6,8,10-trien-12-oic acid gamma-lactone|(1S,8S)-6,7,8,9-tetrahydro-1-hydroxy-1,5,8-trimethylnaphtho[2,1-b]furan-2-(1H)-one
(Z)-2-(2-hydroxy-4-methylphenyl)allyl 2-methylbut-2-enoate|9-O-angeloyl-8,10-dehydrothymol
(4aS,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-5-methylene-4a,5,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one|linderolide G|sarcandralactone E
(3S,3aR,4aS,8aR,9aR)-3a,4a,5,8a,9,9a-hexahydro-3,8a-dimethyl-5-methylidenenaphtho[2,3-b]furan-2,8(3H,4H)-dione|1-oxo-11alphaH-eudesma-2,4(14)-dien-12,8beta-olide
(4aR,6-S,8aS,9aS)-6-hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one|(4aR,6S,8aS,9aS)-6-hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one|linderolide E
(+/-)-(2E)-3-[4-methoxy-3-(2,5-dihydro-4-methylfuran-2-yl)phenyl]prop-2-en-1-ol|pteleifolin C
1-hydroxy-10(15)-methylenepodoandin|7alpha-hydroxy-3,5-dimthyl-8-methylene-4alpha,7,7alpha,8,9,9alpha-hexahydroazuleno[6,5-beta]furan-2(4H)-one
3-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-en-1-one
(4S)-illicinone A|(S)-Illicinone A|4S-(+)-illicinone-A
7,10-epoxy-hedyosminolide|7,10-epoxyhedyosminolide|7alpha,10alpha-epoxy-1alpha(H),5alpha(H)-guaia-3,11(13)-dien-8alpha,12-olide
2-Oxo-1(5)-guajen-cis-8,12-olid|2-oxo-Guai-1(5)-en-12,8alpha-olide
6-allyl-4-(3-methylbut-2-enyl)-1,3-benzodioxol-5-ol
(E)-dupracine methyl ester|methyl (E)-3-(2,2-dimethylchroman-6-yl)-2-propenoate
1-oxo-eudesm-2,4(15)-dien-5alpha,6beta,7alpha,11betaH-12,6-olide|Anhydrovulgarin
1,2,5-trimethoxy-3-methyl-4-(3-methylbut-3-en-1-yn-1-yl)benzene|1,2,5-trimethoxy-3-methyl-4-(3-methylbut-3-en-1-ynyl)benzene|antrocamphin A|antrocamphine A
2,2-Dimethyl-5,7-dimethoxy-8-ethenyl-2H-1-benzopyran
6-allyl-6-(3-methylbut-2-enyl)-1,3-benzodioxol-5-one
(7S,8R,12R)-4,8-dihydroxy-1,3,5,10-tetraen-8,12-cyclobisabolan-9-one|cycloabiesesquine A|cycloabiesesquiterane A
3,5,alpha-Trimethyl-7,8-dihydro-6H-furo[3,2-h][1]benzopyran-8-methanol
(3aS,5R)-1,2,4,5-tetrahydro-5,8-dimethyl-1-methylidenenaphtho[2,1-b]furan-3a,9b-diol|strobilol H
(+)-(5R,7S,9R,10S)-2-oxocadinan-3,6(11)-dien-12,7-olide
(4R,4aS,5aS,6aR,6bS,7aR)-4-Hydroxy-3,6b-dimethyl-5-methylene-4,4a,5,5a,6,6a,7,7a-octahydrocyclopropa[2,3]indeno[5,6-b]furan-2(6bH)-one
Lacinilene C
Lacinilene C is a sesquiterpenoid. Lacinilene C is a natural product found in Alangium chinense, Gossypium hirsutum, and other organisms with data available.
gamma-Glutamylvaline
γ-Glutamylvaline is an activator of CaSR with anti-inflammatory activity. γ-Glutamylvaline inhibits TNF-α-induced proinflammatory cytokine production and increases Wnt5a expression. γ-Glutamylvaline activates calcium-sensing receptor pathways in adipocytes of 3T3-L1 mice and prevents low-grade chronic inflammation[1].
NVE_247.1330_17.3
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1206
gamma-l-glutamyl-l-valine
γ-Glutamylvaline is an activator of CaSR with anti-inflammatory activity. γ-Glutamylvaline inhibits TNF-α-induced proinflammatory cytokine production and increases Wnt5a expression. γ-Glutamylvaline activates calcium-sensing receptor pathways in adipocytes of 3T3-L1 mice and prevents low-grade chronic inflammation[1].
C15H18O3_(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
C15H18O3_(1aS,10aR)-1a,5,9-Trimethyl-1a,3,6,10a-tetrahydrooxireno[4,5]cyclodeca[1,2-b]furan-10(2H)-one
C15H18O3_(4E,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
C15H18O3_Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-, (3aR,7aS,8S,9aR)
C15H18O3_Naphtho[1,2-b]furan-2,5(3H,4H)-dione, 3a,5a,6,7,8,9b-hexahydro-5a,9-dimethyl-3-methylene-, (3aS,5aS,9bR)
Loxoprofen
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
(3aS,5aS,9bR)-5a,9-dimethyl-3-methylidene-3a,4,6,7,8,9b-hexahydrobenzo[g][1]benzofuran-2,5-dione
(3Z,6E)-2,2,6-trimethyl-12-oxabicyclo[8.2.1]trideca-3,6,10(13)-triene-5,11-dione
(3aR,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione
(3aR,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione_major
Koloxo
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Leu-asp
A dipeptide formed from L-leucine and L-aspartic acid residues.
2-Oxoalantolactone
Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran
8-Epixanthatin
3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
annuolide A
Glu-val
A glutamyl-L-amino acid that is the N-(L-alpha-glutamyl) derivative of L-leucine.
Boc-D-Glutamine
5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid is a glutamine derivative[1].
(S)-5-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)-5-OXOPENTANOIC ACID
methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate
Methyl 1-(2-methylphenyl)-4-oxocyclohexanecarboxylate
4-oxo-4-(2,3,4,5,6-pentamethylphenyl)but-2-enoic acid
2,3-Bifuran, 2,3,4,5-tetrahydro-5-methyl-5-[(4-methyl-2-furanyl)methyl]-
Aspergillusene B
A sesquiterpenoid that is 1-benzofuran substituted by a methyl group at position 3, a 3-methylbutyl group at position 2 and a carboxy group at position 6. An Aspergillus metabolite isolated from the sea fan derived fungus Aspergillus sydowii.
N-[5-(3,4-dimethylanilino)-1H-1,2,4-triazol-3-yl]-N-hydroxymethanimidamide
5a,9-Dimethyl-3-methylidene-3a,4,6,7,8,9b-hexahydrobenzo[g][1]benzouran-2,5-dione
(3aR)-3aalpha,7,7aalpha,8,9,9abeta-Hexahydro-5,8beta-dimethyl-3-methyleneazuleno[6,5-b]furan-2,6(3H,4H)-dione
4-[(6S)-6-hydroxy-5,5-dimethylcyclohexen-1-yl]benzoic acid
antrocapmphin A
A methoxybenzene that is 1,2,5-trimethoxy-3-methylbenzene substituted by a 3-methylbut-3-en-1-yn-1-yl group at position 4. It is isolated from Antrodia camphorata and exhibits anti-inflammatory activity.
(2S,5S,6S,9S)-5,9,13-trimethyl-3-oxatricyclo[7.4.0.0<2,6>]trideca-1(13),10-die ne-4,12-dione
9-O-angeloyl-8,10-dehydrothymol
A natural product found in Eupatorium cannabinum subspecies asiaticum.
(3S,3aS,9bS)-8-hydroxy-3,6,9-trimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one
(4Z,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
(4E,7Z)-5,9,9-Trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
(2S)-2-(cyclohexen-1-yl)-2-(4-methoxyphenyl)acetic acid
Xanthatin
Xanthatin is a sesquiterpene lactone. Xanthatin is a natural product found in Xanthium spinosum, Dittrichia graveolens, and other organisms with data available. D000970 - Antineoplastic Agents
(3R,3aS,9aS,9bS)-3,6,9-trimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
gamma-Glu-val
A glutamyl-L-amino acid that is the N-(L-gamma-glutamyl) derivative of L-leucine.
3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
alpha-Asp-Ile
A dipeptide that is the N-(L-alpha-aspartyl) derivative of L-isoleucine.
8-Epixanthatin
8-Epixanthatin is a potential colchicine binding site inhibitor isolated from Xanthium chinese Mill. 8-Epixanthatin can inhibit the activation of STAT3, induce apoptosis, and has anti-tumor activity[1].
6-hydroxy-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one
(3as,6ar,9r,9as,9bs)-3,6-dimethylidene-octahydrospiro[azuleno[4,5-b]furan-9,2'-oxiran]-2-one
(4e,7z,10s)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
1,10-dimethyl-6-methylidene-4,11-dioxatetracyclo[7.5.0.0³,⁷.0¹⁰,¹²]tetradec-13-en-5-one
5'-hydroxy-7'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-one
5,8-dimethyl-3-methylidene-3ah,4h,4ah,5h,8h,9h,9ah-azuleno[6,5-b]furan-2,6-dione
(4as,5r,8ar)-2-hydroxy-3,5,8a-trimethyl-4h,4ah,5h,9h-naphtho[2,3-b]furan-8-one
(3ar,4as,8s,8ar,9ar)-8-hydroxy-8a-methyl-3,5-dimethylidene-3ah,4h,4ah,8h,9h,9ah-naphtho[2,3-b]furan-2-one
3,13-dimethyl-8,15-dioxatetracyclo[9.3.1.0¹,⁶.0⁶,¹⁰]pentadeca-2,13-dien-7-one
10-hydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),8(12),9-trien-7-one
2-(8,8a-dimethyl-7-oxo-1,2,3,8-tetrahydronaphthalen-2-yl)prop-2-enoic acid
(1r,8s,10s)-11,11-dimethyl-12-methylidene-5,7-dioxatetracyclo[6.5.1.0¹,¹⁰.0⁴,⁸]tetradec-3-en-2-one
(1s,2s,5s,6s,9s,10s)-5,9,10-trimethyl-3-oxatetracyclo[7.4.0.0¹,¹⁰.0²,⁶]tridec-12-ene-4,11-dione
(3as,5as,9s,9as,9bs)-5a,9-dimethyl-3-methylidene-3ah,4h,5h,9h,9ah,9bh-naphtho[1,2-b]furan-2,8-dione
7-methyl-3-methylidene-6-(3-oxobut-1-en-1-yl)-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(3as,5as,9br)-5a,9-dimethyl-3-methylidene-3ah,4h,6h,7h,8h,9bh-naphtho[1,2-b]furan-2,5-dione
(4e,7e,10s)-5,9,9-trimethyl-11-oxabicyclo[8.2.1]trideca-1(13),4,7-triene-6,12-dione
3-hydroxy-7-isopropyl-1,4a-dimethyl-5h-naphthalene-2,6-dione
(3ar,4r,6as,9ar,9br)-4-hydroxy-9-methyl-3,6-dimethylidene-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3as,11as)-6,10-dimethyl-3-methylidene-3ah,5h,8h,9h,11ah-cyclodeca[b]furan-2,4-dione
(1s,8s)-1-hydroxy-1,5,8-trimethyl-6h,7h,8h,9h-naphtho[2,1-b]furan-2-one
(1r,8r,12r,15s)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-dien-13-one
(2e)-3-(4-methoxyphenyl)prop-2-en-1-yl (2z)-2-methylbut-2-enoate
(3r,5r,9r)-7-(furan-3-yl)-3,9-dimethyl-1-oxaspiro[4.5]dec-6-en-2-one
(13r)-13-hydroxypentadeca-6,7-dien-9,11-diynoic acid
4,8,12-trimethyl-2-oxatricyclo[7.3.1.0⁵,¹³]trideca-4,11-diene-3,6-dione
6-hydroxy-8a-methyl-3,5-dimethylidene-3ah,4h,4ah,6h,9h,9ah-naphtho[2,3-b]furan-2-one
5-hydroxy-1,6-dimethyl-1,2,6,7,8,8a-hexahydroacenaphthylene-3-carboxylic acid
1-{5,8-dimethyl-3,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1,4,6,8-tetraen-12-yl}ethanol
(3ar,4as,5r,8s,9as)-5,8-dimethyl-3-methylidene-3ah,4h,4ah,5h,8h,9h,9ah-azuleno[6,5-b]furan-2,6-dione
(1s,3r,7s,10s,13r)-13-methyl-4,9-dimethylidene-6,14-dioxatetracyclo[8.4.0.0¹,¹³.0³,⁷]tetradecan-5-one
(1r,6r,10r,11s,13s)-4,13-dimethyl-9-methylidene-7,14-dioxatetracyclo[9.2.1.0¹,⁵.0⁶,¹⁰]tetradec-4-en-8-one
6,10-dimethyl-3,11-dioxapentacyclo[8.4.1.0¹,⁷.0⁴,¹⁴.0⁷,¹²]pentadec-8-en-2-one
3-(hydroxymethyl)-5,8a-dimethyl-4h,4ah,7h,8h-naphtho[2,3-b]furan-2-one
(3ar,7s,8ar,9ar)-7-hydroxy-8a-methyl-3,5-dimethylidene-3ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
(1s,2s,6s,9r,11s,13s)-9,13-dimethyl-5-methylidene-3-oxatetracyclo[7.4.0.0²,⁶.0¹¹,¹³]tridecane-4,10-dione
6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,11ah-cyclodeca[b]furan-2,9-dione
(7s,8as)-7-methyl-3-methylidene-6-[(1e)-3-oxobut-1-en-1-yl]-3ah,4h,7h,8h,8ah-cyclohepta[b]furan-2-one
(1r,3r,7r,9r,10s,12r)-1,10-dimethyl-6-methylidene-4,11-dioxatetracyclo[7.5.0.0³,⁷.0¹⁰,¹²]tetradec-13-en-5-one
(3ar,11as)-10-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-6-carbaldehyde
4-[(6r)-6-hydroxy-5,5-dimethylcyclohex-1-en-1-yl]benzoic acid
(3ar,11as)-6,10-dimethyl-3-methylidene-3ah,5h,8h,9h,11ah-cyclodeca[b]furan-2,4-dione
(3as,6s,6as,9ar,9br)-6,9a-dimethyl-3-methylidene-3ah,4h,5h,6h,6ah,9bh-azuleno[4,5-b]furan-2,9-dione
(3as,4r,4ar,7ar,9ar)-4-hydroxy-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one
(4as)-7-isopropyl-3-methoxy-4a-methyl-5h-naphthalene-2,6-dione
(4s)-11-hydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),8(12),9-trien-7-one
(2e)-3-[4-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-enoic acid
(3ar,8ar,9ar)-5,8a-dimethyl-3-methylidene-3ah,4h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2,6-dione
methyl (3z,5e)-2-(hydroxymethyl)-3-methyl-6-phenylhexa-3,5-dienoate
(2r,5s,6r,7s)-7-ethenyl-5,7,12-trimethyl-3,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),11-dien-4-one
(3ar,5s,8s,9ar)-5,8-dimethyl-3-methylidene-3ah,4h,5h,6h,8h,9h,9ah-azuleno[6,5-b]furan-2,7-dione
(3as,11as)-10-methyl-3,6-dimethylidene-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-2,7-dione
4-(3-methylbut-2-en-1-yl)-6-(prop-2-en-1-yl)-2h-1,3-benzodioxol-5-ol
4,12-dimethyl-6-oxatetracyclo[6.5.1.0²,⁴.0⁵,¹⁴]tetradec-11-ene-7,13-dione
8-hydroxy-3,6,9-trimethylidene-octahydroazuleno[4,5-b]furan-2-one
4-(6-hydroxy-5,5-dimethylcyclohex-1-en-1-yl)benzoic acid
(2r,3r,11r)-11-hydroxy-2,3,10,10-tetramethyltricyclo[6.3.0.0²,⁶]undeca-1(8),5-diene-4,9-dione
11-hydroxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),8(12),9-trien-7-one
(1r,2r,3r)-1-hydroxy-2,3,10,10-tetramethyltricyclo[6.3.0.0²,⁶]undeca-5,7-diene-4,9-dione
5,8-dimethyl-1-methylidene-2h,4h,5h-naphtho[2,1-b]furan-3a,9b-diol
(3s,9as,9bs)-3,6,9-trimethyl-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-2,7-dione
3,4-dihydroxy-2-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-naphthalen-1-one
(3s,5r,9r)-7-(furan-3-yl)-3,9-dimethyl-1-oxaspiro[4.5]dec-6-en-2-one
(3as,9bs)-9-(hydroxymethyl)-3,6-dimethylidene-3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(1s,4s,9z,13s)-5,5,9-trimethyl-3-oxatricyclo[5.5.1.0⁴,¹³]trideca-6,9-diene-2,8-dione
(3s,3ar,4ar,8ar,9ar)-3,8a-dimethyl-5-methylidene-3h,3ah,4h,4ah,9h,9ah-naphtho[2,3-b]furan-2,6-dione
(3ar,4ar,5r,9ar)-4a,5-dimethyl-3-methylidene-3ah,4h,5h,7h,8h,9ah-naphtho[2,3-b]furan-2,6-dione
(1s,3r,6s,10s,11r)-3,12-dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.0¹,³.0⁶,¹⁰]tetradec-12-en-8-one
4-hydroxy-3,5,8-trimethylidene-octahydroazuleno[6,5-b]furan-2-one
(4s,5s)-4-hydroxy-3,4,5-trimethyl-5h,6h,7h,8h-naphtho[2,3-b]furan-9-one
6-(hydroxymethyl)-2,11,11-trimethyl-8-oxatricyclo[7.3.0.0²,⁵]dodeca-1(9),3,5-trien-7-one
(3s,3as,4s)-3a,4-dimethyl-3-(2-methylprop-2-enoyl)-2,3,4,5-tetrahydroindene-1,6-dione
(3s,3as,5ar,9bs)-3,5a,9-trimethyl-3h,3ah,4h,5h,9bh-naphtho[1,2-b]furan-2,6-dione
7'-hydroxy-5'-methoxy-2',3'-dihydrospiro[cyclohexane-1,1'-inden]-4-one
5-[(1e,5z)-2,6-dimethylocta-1,5,7-trien-1-yl]furan-3-carboxylic acid
11,13-epoxydehydrocostus lactone
{"Ingredient_id": "HBIN000283","Ingredient_name": "11,13-epoxydehydrocostus lactone","Alias": "NA","Ingredient_formula": "C15H18O3","Ingredient_Smile": "C=C1CCC2C(C3C1CCC3=C)OC(=O)C24CO4","Ingredient_weight": "246.3 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9397","PubChem_id": "100913930","DrugBank_id": "NA"}
3-oxo-10(14),11(13)-guaiadien-12,6-olide
{"Ingredient_id": "HBIN009392","Ingredient_name": "3-oxo-10(14),11(13)-guaiadien-12,6-olide","Alias": "NA","Ingredient_formula": "C15H18O3","Ingredient_Smile": "NA","Ingredient_weight": "246.3","OB_score": "NA","CAS_id": "77355-79-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8004","PubChem_id": "NA","DrugBank_id": "NA"}
3-oxoeudesma-1,4,11(13)-trien-7αh-12-oicacid
{"Ingredient_id": "HBIN009419","Ingredient_name": "3-oxoeudesma-1,4,11(13)-trien-7\u03b1h-12-oicacid","Alias": "NA","Ingredient_formula": "C15H18O3","Ingredient_Smile": "CC1=C2CC(CCC2(C=CC1=O)C)C(=C)C(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16320","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
