Exact Mass: 230.1742672
Exact Mass Matches: 230.1742672
Found 500 metabolites which its exact mass value is equals to given mass value 230.1742672,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(-)-dehydrocostus lactone
Dehydrocostus lactone is an organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. It has a role as a metabolite, a trypanocidal drug, an antineoplastic agent, a cyclooxygenase 2 inhibitor, an antimycobacterial drug and an apoptosis inducer. It is a sesquiterpene lactone, a guaiane sesquiterpenoid, an organic heterotricyclic compound and a gamma-lactone. Dehydrocostus lactone is a natural product found in Marshallia obovata, Cirsium carolinianum, and other organisms with data available. See also: Arctium lappa Root (part of). An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. CONFIDENCE standard compound; ML_ID 36 Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3]. Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3].
Lindeneol
Linderenol is a member of benzofurans. Linderene is a natural product found in Lindera chunii and Lindera pulcherrima var. hemsleyana with data available. Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1]. Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1].
Atractylenolide
Atractylenolide I is a natural product found in Solanum lyratum, Atractylodes japonica, and other organisms with data available. Atractylenolide I is a sesquiterpene derived from the rhizome of Atractylodes macrocephala, possesses diverse bioactivities, such as neuroprotective, anti-allergic, anti-inflammatory and anticancer properties. Atractylenolide I reduces protein levels of phosphorylated JAK2 and STAT3 in A375 cells, and acts as a TLR4-antagonizing agent. Atractylenolide I is a sesquiterpene derived from the rhizome of Atractylodes macrocephala, possesses diverse bioactivities, such as neuroprotective, anti-allergic, anti-inflammatory and anticancer properties. Atractylenolide I reduces protein levels of phosphorylated JAK2 and STAT3 in A375 cells, and acts as a TLR4-antagonizing agent.
Furanodienone
Furanodienone is a germacrane sesquiterpenoid. (5E,9E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Isofuranodienone is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary) Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1]. Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1].
Curzerenone
Constituent of Curcuma zedoaria (zedoary). Curzerenone is found in turmeric. 5-Epicurzerenone is from Curcuma zedoaria (zedoary Curzerenone is a monoterpenoid. 4(5H)-Benzofuranone, 6-ethenyl-6,7-dihydro-3,6-dimethyl-5-(1-methylethenyl)-, trans- is a natural product found in Prumnopitys andina, Curcuma aeruginosa, and other organisms with data available. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1]. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1].
Dodecanedioic acid
Dodecanedioic acid is an aliphatic dicarboxylic acid containing 12 carbon atoms. More formally it is an alpha,omega-dicarboxylic acid with both the first and last carbons of the aliphatic chain having carboxylic acids. Dodecanedioic acid is water soluble. It can be produced in yeast and fungi through the oxidation of dodecane via fungal peroxygenases (PMID: 27573441). High levels of dodecanedioic acid is an indicator of hepatic carnitine palmitoyltransferase I (CPT IA) deficiency (PMID: 16146704). CPT IA deficiency is characterized by hypoketotic dicarboxylic aciduria with high urinary levels of dodecanedioic acid. It is thought that carnitine palmitoyltransferase I may play a role in the uptake of long-chain dicarboxylic acids by mitochondria after their initial shortening by beta-oxidation in peroxisomes (PMID: 16146704). CPT IA deficiency is characterized by acute encephalopathy with hypoglycemia and hepatomegaly. Dodecanedioic acid is a dicarboxylic acid which is water soluble and involves in a metabolic pathway intermediate to those of lipids and carbohydrates. (PMID 9591306). Dodecanedioid acid is an indicator of hepatic carnitine palmitoyltransferase I (CPT IA) deficiency. CPT IA deficiency is characterized by hypoketotic dicarboxylic aciduria with high urinary levels of dodecanedioic acid. This C12 dicarboxylic aciduria suggests that carnitine palmitoyltransferase I may play a role in the uptake of long-chain dicarboxylic acids by mitochondria after their initial shortening by beta-oxidation in peroxisomes. (PMID: 16146704) [HMDB] Dodecanedioic acid (C12) is a dicarboxylic acid with a metabolic pathway intermediate to those of lipids and carbohydrates.
Dibutyl succinate
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents
Eremanthin
Eremanthin belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Eremanthin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Eremanthin can be found in sweet bay, which makes eremanthin a potential biomarker for the consumption of this food product.
Bis(1-methylethyl) hexanedioate
Bis(1-methylethyl) hexanedioate is a food additive [Goodscents]. Food additive [Goodscents]
Isoleucyl-Valine
Isoleucyl-Valine is a dipeptide composed of isoleucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Valine
Leucyl-Valine is a dipeptide composed of leucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valylisoleucine
Valylisoleucine is a dipeptide composed of valine and isoleucine. 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.
Talaromycin A
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Talaromycin D is a mycotoxin from Talaromyces stipitatu Mycotoxin from Talaromyces stipitatus.
3-hydroxytridecanoic acid
3-Hydroxytridecanoic acid is a long-chain hydroxy fatty acid. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate
(2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is found in fats and oils. (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). (2E,8Z)-Decadiene-4,6-diyn-1-yl 3-methylbutanoate is found in fats and oils and herbs and spices.
8,12-Epoxy-4(15),7,11-eudesmatrien-1-one
8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is found in green vegetables. 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is a constituent of Smyrnium olusatrum (alexanders). Constituent of Smyrnium olusatrum (alexanders). 8,12-Epoxy-4(15),7,11-eudesmatrien-1-one is found in green vegetables.
Capryloylcholine
C13H28NO2+ (230.21199280000002)
Capryloylcholine is a fatty acid-choline as the ester product of Capryloic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. Capryloylcholine is a fatty acid-choline as the ester product of Capryloic acid and cholinel.
Ibudilast
Ibudilast is an anti-inflammatory and neuroprotective oral agent which shows an excellent safety profile at 60 mg/day and provides significantly prolonged time-to-first relapse and attenuated brain volume shrinkage in patients with relapsing-remitting (RR) and/or secondary progressive (SP) multiple sclerosis (MS). Ibudilast is currently in development in the U.S. (codes: AV-411 or MN-166), but is approved for use as an antiinflammatory in Japan. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DC - Leukotriene receptor antagonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Valylleucine
Valylleucine is a dipeptide composed of valine and leucine. 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.
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol is a physiological cooling agent used in food and beverage Physiol. cooling agent used in food and beverages
Cyclohexyl cinnamate
Cyclohexyl cinnamate is a flavouring ingredient. Flavouring ingredient
Dipropyl hexanedioate
Dipropyl hexanedioate is a food additive [Goodscents]. Food additive [Goodscents]
Dehydrocostus lactone
Dehydrocostus lactone, also known as dehydro-alpha-curcumene, belongs to guaianolides and derivatives class of compounds. Those are diterpene lactones with a structure characterized by the presence of a gamma-lactone fused to a guaiane, forming 3,6,9-trimethyl-azuleno[4,5-b]furan-2-one or a derivative. Dehydrocostus lactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dehydrocostus lactone can be found in burdock and sweet bay, which makes dehydrocostus lactone a potential biomarker for the consumption of these food products.
Propyphenazone
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones 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 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Curzerenone C
Curzerenone c is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. Curzerenone c is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Curzerenone c can be found in turmeric, which makes curzerenone c a potential biomarker for the consumption of this food product. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1]. Curzerenone is one of constituents of leaf essential oil extracted from L. pulcherrima. Shows slight inhibitory effective against E. coli[1].
2-(3-Methyl-2-butenyl)-3,6-dimethylbenzofuran-5-ol
Kauniolide
Kauniolide is a natural product found in Critonia quadrangularis and Kaunia ignorata with data available.
4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
4-Hydroxy-2-isopropyl-4,7-dimethyl-1(4H)-naphthalenone
Herbertenolide
Laurequinone
Isocinariolide
Gazaniolide
1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-butenyl)-, (2R,4R)- ; 1(2H)-Naphthalenone, 3,4-dihydro-4-hydroxy-2-(3-methyl-2-butenyl)-, (2R,4S)-
(4aR-cis)-4a,5,6,7-Tetrahydro-3,4a,5-trimethyl-naphtho[2,3-b]furan-8(4H)-one
Lindestrenolide
1,2,4,15-Tetrahydro-4,5-dihydrosteiractinolide
6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Isoalantodiene
Alantodiene
13-Deoxyisoonoceriolide
4-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
dehydrocostus lactone
Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3]. Dehydrocostus Lactone is a major sesquiterpene lactone isolated from the roots of Saussurea costus. IC50 value: Target: In vitro: Dehydrocostus Lactone promoted apoptosis with increased activation of caspases 8, 9, 7, 3, enhanced PARP cleavage, decreased Bcl-xL expression and increased levels of Bax, Bak, Bok, Bik, Bmf, and t-Bid. We have demonstrated that Dehydrocostus Lactone inhibits cell growth and induce apoptosis in DU145 cells [1]. Dehydrocostus Lactone inhibits NF-kappaB activation by preventing TNF-alpha-induced degradation and phosphorylation of its inhibitory protein I-kappaB alpha in human leukemia HL-60 cells and that dehydrocostus lactone renders HL-60 cells susceptible to TNF-alpha-induced apoptosis by enhancing caspase-8 and caspase-3 activities [2]. Dehydrocostus Lactone inhibited the production of NO in lipopolysaccharide (LPS)-activated RAW 264.7 cells by suppressing inducible nitric oxide synthase enzyme expression. In vivo: Dehydrocostus Lactone decreased the TNF-alpha level in LPS-activated systems in vivo [3].
Linderene
Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1]. Lindenenol is isolated from Radix linderae, with antioxidant and antibacterial activities[1].
Furanodienon
Furanodienone is a germacrane sesquiterpenoid. (5E,9E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one is a natural product found in Curcuma amada, Curcuma aeruginosa, and other organisms with data available. Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1]. Furanodienone is one of the major bioactive constituents derived from Rhizoma Curcumae. Furanodienone induced apoptosis[1].
Propyphenazone
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones 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 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 2653 CONFIDENCE standard compound; INTERNAL_ID 2272 CONFIDENCE standard compound; INTERNAL_ID 8550
DIMETHYL SEBACATE
A fatty acid methyl ester that is sebacic acid in which both carboxy groups are replaced by methoxycarbonyl groups.
tert-butyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
(all-E)-6,8,12,14-Hexadecatetraen-10-yn-1-ol|6,8,12,14-Hexadecatetraen-10-yn-1-ol|all trans-Hexadecatetraen-(6.8.12.14)-in-(10)-ol|Hexadeca-6t,8t,12t,14t-tetraen-10-in-1-ol|hexadeca-6t,8t,12t,14t-tetraen-10-yn-1-ol
4-hydroxy-4,7-dimethyl-2-(propan-2-yl)naphthalen-1(4h)-one
8,10,14-Pentadecatriene-4,6-diyne-3,12-diol|pentadeca-8t,10t,14-triene-4,6-diyne-3,12-diol
Hexadeca-7c,14t-dien-10,12-diin-1-ol|hexadeca-7c,14t-diene-10,12-diyn-1-ol|Hexadecadien-(7c,14t)-diin-(10,12)-ol-(1)|Hexadecadien-(7cis.14trans)-diin-(10.12)-ol
(Z)-13,15-hexadecadien-2,4-diyn-1-ol|(Z)-13,15-hexadecadiene-2,4-diyn-1-ol
1,2-Dimethyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline
1,9-Epoxy-1,3,5,10-bisabolatetraen-12-al|1,9-Epoxy-1,3,5,10-bisabolatetraen-12-ol
1-propyl-2,3,4,9-tetrahydro-1H-beta-carbolin-6-ol|1-Propyl-6-hydroxy-1,2,3,4-tetrahydro-2-carboline|1-Propyl-6-hydroxyl-1,2,3,4-tetrahydro-beta-carboline|schobericine|schobicine
3,8-dimethyl-5-isopropyl-2,3-dihydro-1H-azulene-1,6-dione|pernambucone
Tetrahydro-3-methylene-4-(2,6-dimethylbenzyl)-2H-pyran-2-one
(3R,4S,5S,9S)-3,5,9-trihydroxy-4-methylundecanoic acid delta-lactone|(4R,5S,6S)-4-hydroxy-6-[(4S)-4-hydroxyhexyl]-5-methyltetrahydro-2H-2-pyranone|3R-hydroxy-4S-methyl-5S,9S-hydroxyundecanoic acid-gamma-lactone
4-allyl-1,2,5,6,11,11a-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-10-one|Dehydro-albin|Dehydroalbin
6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
(+)-aromadendra-1(10),4-dien-15-al-3-one|3-Oxo-1(10),4-aromadensradien-14-al
1-(1,1-dimethyl-2-propenyl)-4-phenylbutan-2,4-dione|Mysorenone B
(E)-1-(3-methyl-2-butenoyloxy)-2-decen-4,6-diyne|1-Senecionyloxy-deca-2t-en-4,6-diin
(7R)-14(10 ? 1)-abeoeudesma-1,3,5(10),11(13)-tetraen-12-oic acid*dichloromethane
Hexadeca-7c,12t,14t-trien-10-in-1-al|hexadeca-7c,12t,14t-trien-10-ynal
13-Hydroxytridecanoic acid
An omega-hydroxy fatty acid that is tridecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
2-hydroxytridecanoic acid
A 2-hydroxy fatty acid that is tridecanoic acid substituted by a hydroxy group at position 2.
Propyphenazon
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones 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 CONFIDENCE standard compound; INTERNAL_ID 4071 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
DODECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. Dodecanedioic acid (C12) is a dicarboxylic acid with a metabolic pathway intermediate to those of lipids and carbohydrates.
5-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
Talaromycin A
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based on: CCMSLIB00000846526]
5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based: Match]
5-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one_major
Ketas
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DC - Leukotriene receptor antagonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ile-val
A dipeptide formed from L-isoleucine and L-valine residues.
Leu-Val
A dipeptide formed L-leucine and L-valine residues.
Val-ile
A dipeptide formed from L-valine and L-isoleucine residues.
Val-leu
A dipeptide formed from L-valine and L-leucine residues.
N1,N8-Diacetylspermidine
(4-Vinylphenyl)boronic acid, pinacol ester
C14H19BO2 (230.14780240000002)
Thiourea, N-(4-methyl-1-piperazinyl)-N-(2-methylpropyl)- (9CI)
N-[4-(DIMETHYLAMINO)BENZYL]-N-(2-FURYLMETHYL)AMINE
5-tert-butyl-2-(6-methylpyridin-3-yl)pyrazol-3-amine
1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHANONE
Trans-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)styrene
C14H19BO2 (230.14780240000002)
Tert-butyl 3-(hydroxymethyl)piperidin-3-ylcarbamate
2-(3-cyclohexenyl)ethyltrimethoxysilane
C11H22O3Si (230.13381420000002)
(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoic acid
(3S,4R)-TERT-BUTYL 4-AMINO-3-METHOXYPIPERIDINE-1-CARBOXYLATE
1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium,nitrate
2-Naphthalenecarboxaldehyde,5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-
1H-1,5-Benzodiazepine,2-ethyl-2,3-dihydro-2,3,4,8-tetramethyl-(9CI)
tert-butyl-dimethyl-[1-[(2-methylpropan-2-yl)oxy]ethenoxy]silane
ethane-1,2-diol,propane-1,2-diol,propane-1,2,3-triol
N,N-dimethyl-2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
tert-butyl (2S,4R)-4-amino-2-(MethoxyMethyl)pyrrolidine-1-carbox
3-(PYRROLIDIN-1-YLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
3S,4S-4-aminomethyl-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
1-Benzyl-4-(Hydroxymethyl)piperidine-4-carbonitrile
1-methyl-3-octylimidazolium chloride
C12H23ClN2 (230.15496679999998)
Propanedioic acid,2-butyl-2-methyl-, 1,3-diethyl ester
(1H-Indol-3-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane
C14H19BO2 (230.14780240000002)
(S)-tert-Butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
tert-butyl 3-(hydroxymethyl)-1,4-diazepane-1-carboxylate
1H-1,5-Benzodiazepine,2,4-diethyl-2,3-dihydro-2,8-dimethyl-(9CI)
tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate
Diacetone alcohol peroxide(in a mixture,content≤57\\%,containing≥8\\% water,≤26\\%diacetone alcohol,≤9\\% hydrogen peroxide,≤10\\% available oxygen)
3-[Ethoxy(dimethyl)silyl]propyl methacrylate
C11H22O3Si (230.13381420000002)
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl dihydroxy-acetate
tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
butan-2-one O,O-(dimethylsilanediyl)dioxime
C10H22N2O2Si (230.14504720000002)
(3R*,4S*,5S*,8ζ)-3,4-Epoxy-5-isopropyl-2-methyl-2,8-nonanediol
tert-Butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
CYCLOHEXANO-12-CROWN-4, MIXTURE OF CIS AND TRANS, 93
tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
BRL-54443
BRL 54443 is a potent 5-HT1E/1F receptor agonist (Ki values are 1.1 nM and 0.7 nM respectively); displays > 30-fold selectivity over other 5-HT and dopamine receptors[1].
3,9-Diazaspiro[5.5]undecane, 3-cyclopropyl-, hydrochloride (1:1)
C12H23ClN2 (230.15496679999998)
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
4-Piperidinecarbonitrile,4-(3-methoxyphenyl)-1-methyl-
1,3-bis(3-dimethylamino)propyl)urea
C11H26N4O (230.21065059999998)
TERT-BUTYL 4-(AMINOMETHYL)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE
2-(3-Methylbut-2-enyl)-4-(2-methylbut-3-en-2-yl)phenol
A natural product found particularly in Sporochnus pedunculatus and Sporochnus comosus.
(S)-2-((S)-2-Amino-3-methylbutanamido)-4-methylpentanoic acid
Silane, trimethyl[(1-methylnonyl)oxy]-
C13H30OSi (230.20658099999997)
Silane, [(1-ethyloctyl)oxy]trimethyl-
C13H30OSi (230.20658099999997)
Trimethyl[(1-propylheptyl)oxy]silane
C13H30OSi (230.20658099999997)
Silane, [(1-butylhexyl)oxy]trimethyl-
C13H30OSi (230.20658099999997)
7-Methoxy-2,5-dimethyl-1,2,3,4-tetrahydropyrimido[3,4-a]-indole
Ibudilast
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DC - Leukotriene receptor antagonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(2S,3S)-2-((S)-2-Amino-3-methylbutanamido)-3-methylpentanoic acid
(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoic acid
(3R,4R)-3-[(1S)-1-Hydroxy-4-methylhexyl]-4-(hydroxymethyl)tetrahydrofuran-2-one
(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]-3-methylbutanoate
[(2S)-2-[(E)-but-2-enoyl]oxy-3-carboxypropyl]-trimethylazanium
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxohex-4-enyl]-trimethylazanium
(2-But-3-enoyloxy-3-carboxypropyl)-trimethylazanium
6-methyl-2-(4-methyl-1-piperazinyl)-1H-benzimidazole
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
(12R)-12-hydroxytridecanoic acid
An (omega-1)-hydroxy fatty acid that is tridecanoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.
2-[(2-Azaniumyl-3-methylbutanoyl)amino]-3-methylpentanoate
(2E)-2-(3,3-Dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide
[(2R)-2-[(E)-but-2-enoyl]oxy-3-carboxypropyl]-trimethylazanium
Octanoic acid, 7-oxo-, trimethylsilyl ester
C11H22O3Si (230.13381420000002)
(E)-Pentamethyldisilanyltrimethylsilylethylene
C10H26Si3 (230.13422359999998)
7,11-Dimethyl-3-methylenecyclotetradeca-1(E),6(E),10(E)-triene
DIBUTYL SUCCINATE
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol
(2s,3s)-2-[(2s)-n-hydroxy-2-methylbutanamido]-3-methylpentanimidic acid
(3r,4r)-3-[(1s)-1-hydroxyheptyl]-4-(hydroxymethyl)oxolan-2-one
(4r,5s,6s)-4-hydroxy-6-[(4s)-4-hydroxyhexyl]-5-methyloxan-2-one
(2s)-4-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethylcyclohexyl]butane-1,2-diol
2,2-Dicyclohexylmalononitrile
{"Ingredient_id": "HBIN003693","Ingredient_name": "2,2-Dicyclohexylmalononitrile","Alias": "NA","Ingredient_formula": "C15H22N2","Ingredient_Smile": "C1CCC(CC1)C(C#N)(C#N)C2CCCCC2","Ingredient_weight": "230.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32301","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "557872","DrugBank_id": "NA"}