Exact Mass: 246.1368
Exact Mass Matches: 246.1368
Found 500 metabolites which its exact mass value is equals to given mass value 246.1368,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
L-Tryptophan betaine
Hypaphorine is an amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. It has a role as a plant metabolite, a xenobiotic and a fungal metabolite. It is an amino-acid betaine, a L-tryptophan derivative and an indole alkaloid. Hypaphorine is a natural product found in Erythrina suberosa, Erythrina subumbrans, and other organisms with data available. Lenticin or hypaphorine is a compound found in lentil extracts. It can also be detected in blood after an individual has consumed lentils and may therefore serve as a food biomarker. Lenticin is an indole alkaloid that is essentially an N-methylated form of tryptophan. It is known to be a sleep-inducing compound (PMID: 18571406). In plants it is an agonist of the plant hormone indole acetic acid. An amino acid betaine obtaine by exhaustive methylation of the alpha-amino group of L-tryptophan with concomitant deprotonation of the carboxy group. (+)-Hypaphorine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=487-58-1 (retrieved 2024-07-01) (CAS RN: 487-58-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Hypaphorine is an indole alkaloid isolated from Caragana korshinskii, and with neurological and glucose-lowering effects in rodents[1]. Hypaphorine is an indole alkaloid isolated from Caragana korshinskii, and with neurological and glucose-lowering effects in rodents[1].
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.
3-Hydroxydodecanedioic acid
3-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders. Peroxisomal biogenesis disorders (PBDs) are characterized by generalized peroxisomal dysfunction due to defective assembly of the organelle and include the Zellweger, neonatal adrenoleukodystrophy and infantile Refsum phenotypes (PMID 10896310) [HMDB] 3-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders. Peroxisomal biogenesis disorders (PBDs) are characterized by generalized peroxisomal dysfunction due to defective assembly of the organelle and include the Zellweger, neonatal adrenoleukodystrophy and infantile Refsum phenotypes (PMID 10896310).
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.
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.
Dibutyl malate
Dibutyl malate is found in fruits. Dibutyl malate is isolated from tamarind fruits (Tamarindus indica
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
Nefiracetam
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents Nefiracetam is a GABAergic, cholinergic, and monoaminergic neuronal systems enhancer for Ro 5-4864-induced convulsions. Target: GABA Receptor Nefiracetam induces a short-term depression of ACh-evoked currents at submicromolar concentrations (0.01-0.1 μM) and a long-term enhancement of the currents at micromolar concentrations (1-10 μM). Nefiracetam interacts with PKA and PKC pathways, which may explain a cellular mechanism for the action of cognition-enhancing agents. Lower (submicromolar) concentrations of the nootropic Nefiracetam reduces ACh-evoked currents to 30\% (0.01 μM) and 38\% (0.1 μM) of control after a 10-minute treatment [1]. Nefiracetam administered orally inhibits Ro 5-4864-induced convulsions in EL mice. Nefiracetam also efficiently inhibits Ro 5-4864-induced convulsions in DDY mice at doses higher than 10 mg/kg [2]. Nefiracetam administered daily 1 hour before each training session facilitates the acquisition process of the avoidance response [3].
Parsalmide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
(2S)-2-(Carboxymethylamino)-5-(diaminomethylideneamino)-4-methylpentanoic acid
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 #
(E,E,E)-1,7-diphenyl-1,3,5-heptatriene|1,7-diphenylhepta-1,3,5-triene
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
Nefiracetam
D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent D020011 - Protective Agents Nefiracetam is a GABAergic, cholinergic, and monoaminergic neuronal systems enhancer for Ro 5-4864-induced convulsions. Target: GABA Receptor Nefiracetam induces a short-term depression of ACh-evoked currents at submicromolar concentrations (0.01-0.1 μM) and a long-term enhancement of the currents at micromolar concentrations (1-10 μM). Nefiracetam interacts with PKA and PKC pathways, which may explain a cellular mechanism for the action of cognition-enhancing agents. Lower (submicromolar) concentrations of the nootropic Nefiracetam reduces ACh-evoked currents to 30\% (0.01 μM) and 38\% (0.1 μM) of control after a 10-minute treatment [1]. Nefiracetam administered orally inhibits Ro 5-4864-induced convulsions in EL mice. Nefiracetam also efficiently inhibits Ro 5-4864-induced convulsions in DDY mice at doses higher than 10 mg/kg [2]. Nefiracetam administered daily 1 hour before each training session facilitates the acquisition process of the avoidance response [3].
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
Tryptophan betaine
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; AOHCBEAZXHZMOR-ZDUSSCGKSA-N_STSL_0038_Tryptophan betaine_0500fmol_180407_S2_LC02_MS02_09; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
(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
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
ascr#2
A hydroxy ketone ascaroside obtained by formal condensation of the hydroxy group of (5R)-5-hydroxyhexan-2-one with ascarylopyranose (the alpha anomer). It is a major component of the dauer pheromone, used by the nematode Caenorhabditis elegans as a population-density signal to promote entry into an alternate larval stage, the nonfeeding and highly persistent dauer diapause, and also synergises with ascr#3, ascr#4, and ascr#8 in male attraction. Ascr#2 is an ascaroside isolated from Caenorhabditis elegans, potently promotes dauer formation, and also acts as a potent male attractant combined with ascr#3 at low concentration[1].
4,7-DIAZA-SPIRO[2.5]OCTANE-4-CARBOXYLIC ACID BENZYL ESTER
3-AMINOMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Methyl 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carboxylate
2,2-(((OXYBIS(PROPANE-2,1-DIYL))BIS(OXY))BIS(METHYLENE))BIS(OXIRANE)
methyl 2-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanoate
1,3-Dihydroisobenzofuran-5-boronic acid pinacol ester
2-[(4-methoxyphenyl)methyl]-5-propyl-4H-pyrazol-3-one
6-AMINOMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YL-AMINO)-PROPIONIC ACID
1,6-Diazaspiro[3.4]octane-6-carboxylic acid, phenylmethyl ester
6-(PIPERIDIN-4-YLMETHYL)-2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE
2-(2-diethylaminoethyl)-1H-isoindole-1,3(2H)-dione
ethyl 6-methyl-2-propan-2-ylimidazo[1,2-a]pyridine-3-carboxylate
5-[1-Hydroxy-2-(isopropylamino)ethyl]-8-quinolinol
4-oxo-4-(2,3,4,5,6-pentamethylphenyl)but-2-enoic acid
DM 235
Sunifiram (DM-235) is an ampakine-like compound with better nootropic activity than piracetam.
3-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
3-(3,3-DIMETHYL-3,4-DIHYDRO-ISOQUINOLIN-1-YLAMINO)-PROPIONIC ACID
3-((2-hydroxyethylamino)methyl)-6,8-dimethylquinolin-2(1H)-one
2-(2,3-Dihydrobenzofuran-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ETHANONE
2-(2,3-Dihydrobenzofuran-7-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
trimethyl-(3-methyl-1-trimethylsilyloxybut-1-enoxy)silane
4-AMINOMETHYL-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
2,3-Bifuran, 2,3,4,5-tetrahydro-5-methyl-5-[(4-methyl-2-furanyl)methyl]-
3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate
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.
3-[(Dimethylamino)methyl]-4-[methyl(phenyl)amino]furan-2(5H)-one
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
(2S)-2-(Carboxymethylamino)-5-(diaminomethylideneamino)-4-methylpentanoic acid
[3-Carboxy-2-(3-oxobutanoyloxy)propyl]-trimethylazanium
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
(2S)-5-{[amino(iminio)methyl]amino}-2-[(2-carboxylatoethyl)azaniumyl]pentanoate
(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
(5Z)-2,2-dimethyl-5-[2-(4-methylphenyl)hydrazinylidene]tetrahydro-4H-pyran-4-one
[(2R)-3-carboxy-2-(3-oxobutanoyloxy)propyl]-trimethylazanium
4,4-Dimethyl mono-methylglutarate, trimethylsilyl ester
4-Trimethylsilylmethyl-6-phenyl-5,6-dihydro-2H-pyran
(Z)-3-Methyl-5-oxo-5-phenyl-2-pentenyltrimethylsilane
3-Methylene-5-phenyl-5-trimethylsilyloxy-1-pentene
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
3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
D-octopine dizwitterion
A D-alpha-amino acid zwitterion that is D-octopine in which both carboxy groups are anionic and the secondary amino and guanidine imino functions are protonated.
Parsalmide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
ascaroside C6
Ascr#2 is an ascaroside isolated from Caenorhabditis elegans, potently promotes dauer formation, and also acts as a potent male attractant combined with ascr#3 at low concentration[1].
N(2)-(2-carboxyethyl)-L-arginine dizwitterion
An amino acid zwitterion obtained from N(2)-(2-carboxyethyl)-L-arginine by the removal of a proton for both of the carboxy groups and the addition of a proton to the alpha-amino group and to the guanidyl group.
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].
Cyclo(L-Phe-L-Val)
Cyclo(L-Phe-L-Val) is a potent inhibitor of enzymes isocitrate lyase (ICL) (IC50=27 μg/mL). cyclo(L-Phe-L-Val) inhibits the gene transcription of ICL in C. albicans under C2-carbon-utilizing conditions[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
n-(5,7a-dimethyl-1-oxo-5h-pyrrolizin-3-yl)-3-methylbut-2-enamide
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
11-hydroxy-7,14-diazatetracyclo[7.6.1.0²,⁷.0¹⁰,¹⁴]hexadeca-2,4-dien-6-one
(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
[(1e,3e,5e)-7-phenylhepta-1,3,5-trien-1-yl]benzene
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"}
