Exact Mass: 294.16784459999997
Exact Mass Matches: 294.16784459999997
Found 500 metabolites which its exact mass value is equals to given mass value 294.16784459999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vinburnine
Eburnamonine is an alkaloid. Vinburnine is a natural product found in Kopsia pauciflora, Aspidosperma quebracho-blanco, and other organisms with data available. C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product > C932 - Vinca Alkaloid Compound C - Cardiovascular system > C04 - Peripheral vasodilators > C04A - Peripheral vasodilators C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids C1907 - Drug, Natural Product relative retention time with respect to 9-anthracene Carboxylic Acid is 0.645 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.638 Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator. Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator.
Cinchonidine
Cinchonine is found in fruits. Cinchonine is an alkaloid from the leaves of Olea europaea Cinchonine is an alkaloidwith molecular formula C19H22N2O used in asymmetric synthesis in organic chemistry. It is a stereoisomer and pseudo-enantiomer of cinchonidine D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents [Raw Data] CB216_Cinchonine_pos_10eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_30eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_40eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_50eV_CB000075.txt [Raw Data] CB216_Cinchonine_pos_20eV_CB000075.txt Alkaloid from the leaves of Olea europaea Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1].
2-[(2E)-3,7-Dimethyl-2,6-octadienyl]-1,4-naphthoquinone
Cinchonidine
Cinchonidine is 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. It has a role as a metabolite. It is a cinchona alkaloid and an (8xi)-cinchonan-9-ol. It derives from a hydride of an (8S)-cinchonan. Cinchonidine is a natural product found in Cinchona calisaya, Cinchona officinalis, and other organisms with data available. 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent Origin: Plant; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids Annotation level-1 [Raw Data] CBA34_Cinchonidine_pos_50eV_1-2_01_1626.txt [Raw Data] CBA34_Cinchonidine_pos_40eV_1-2_01_1625.txt [Raw Data] CBA34_Cinchonidine_pos_20eV_1-2_01_1623.txt [Raw Data] CBA34_Cinchonidine_pos_30eV_1-2_01_1624.txt [Raw Data] CBA34_Cinchonidine_pos_10eV_1-2_01_1617.txt Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonidine (α-Quinidine) is a cinchona alkaloid found in Cinchona officinalis and Gongronema latifolium. A building block used in asymmetric synthesis in organic chemistry. Weak inhibitor of serotonin transporter (SERT) with Kis of 330, 4.2, 36, 196, 15 μM for dSERT, hSERT, hSERT I172M, hSERT S438T, hSERT Y95F, respectively. Antimalarial activities[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1].
Sinapoylputrescine
Sinapoylputrescine is found in fruits. Sinapoylputrescine is an alkaloid from Ananas comosus (pineapple). Alkaloid from Ananas comosus (pineapple). Sinapoylputrescine is found in fruits.
(R)-Rhazinilam
Alkaloidal artifact from Aspidosperma quebracho-blanco (quebracho).
Longistylin A
Longistylin A is found in pulses. Longistylin A is isolated from leaves of Cajanus cajan (pigeon pea). Isolated from leaves of Cajanus cajan (pigeon pea). Longistylin A is found in pulses.
Nordihydrocapsiate
Constituent of fruits of Capsicum annuum. Nordihydrocapsiate is found in many foods, some of which are green bell pepper, herbs and spices, fruits, and orange bell pepper. Nordihydrocapsiate is found in fruits. Nordihydrocapsiate is a constituent of fruits of Capsicum annuum
Tyrosyl-Leucine
Tyrosyl-Leucine is a dipeptide composed of tyrosine 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.
Myrsinone
Myrsinone is a constituent of Myrsine africana (cape myrtle). Constituent of Myrsine africana (cape myrtle)
(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene
Neolignan from essential oil of Ocimum americanum (wild basil). (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene is found in herbs and spices. (E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene is found in herbs and spices. Neolignan from essential oil of Ocimum americanum (wild basil
Leucyl-Tyrosine
Leucyl-Tyrosine is a dipeptide composed of leucine and tyrosine. 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.
Tyrosyl-Isoleucine
Tyrosyl-Isoleucine is a dipeptide composed of tyrosine 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.
Isoleucyl-Tyrosine
Isoleucyl-Tyrosine is a dipeptide composed of isoleucine and tyrosine. 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.
Tanacetol A
Tanacetol A is found in herbs and spices. Tanacetol A is a constituent of Tanacetum vulgare (tansy) Constituent of Tanacetum vulgare (tansy). Tanacetol A is found in herbs and spices.
Retinoid 9CUAB30
Benzoic acid, 4-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, (E)-
5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
Ogyline
D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
tiaden
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
Embelin
Embelin is a member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. It has a role as a hepatitis C protease inhibitor, an antimicrobial agent, an antineoplastic agent and a plant metabolite. Embelin is a natural product found in Ardisia paniculata, Embelia tsjeriam-cottam, and other organisms with data available. A member of the class of dihydroxy-1,4-benzoquinones that is 2,5-dihydroxy-1,4-benzoquinone which is substituted by an undecyl group at position 3. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antimicrobial, antineoplastic and inhibitory activity towards hepatitis C protease. Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3]. Embelin (Embelic acid), a potent, nonpeptidic XIAP inhibitor (IC50=4.1 μM), inhibits cell growth, induces apoptosis, and activates caspase-9 in prostate cancer cells with high levels of XIAP. Embelin blocks NF-kappaB signaling pathway leading to suppression of NF-kappaB-regulated antiapoptotic and metastatic gene products. Embelin also induces autophagic and apoptotic cell death in human oral squamous cell carcinoma cells[1][2][3].
[4aR-(4aalpha,5alpha,6beta,8abeta)]-5-(Acetyloxy)-4a,5,6,7,8,8a-hexahydro-6-(1-hydroxy-1-methylethyl)-4,8a-dimethyl-2(1H)-naphthalenone
5alpha-Acetoxy-9(12)-capnellene-8beta,10alpha-diol
8beta-Acetoxy-9(12)-capnellene-5alpha,10alpha-diol
3,6,7b-Trimethyl-4-acetoxy-4a-hydroxy-2,4,4a,5,6,7,7a,7b-octahydro-1H-cyclobuta[e]indene-6-methanol
3-Methoxy-4-(3-methyl-2-buten-1-yl)-5-[(1E)-2-phenylethenyl]phenol; Longistyline C
troxipide
A - Alimentary tract and metabolism > A02 - Drugs for acid related disorders > A02B - Drugs for peptic ulcer and gastro-oesophageal reflux disease (gord) C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent
(2R,7S,11R)-7-acetoxy-2-hydroxynardosin-1(10)-en-12-al
(2E,6E,10E)-dimethyl 2,6,10-trimethyldodeca-2,6,10-trienedioate|Dimethyl-(2E,6E,10E)-3,7,11-trimethyl-2,6,10-dodecatriendioat
12-Ethenyl-10-ethyl-7,8,9,10-tetrahydro-11H-6,10-methano-5,6-diazacycloocta[b]naphthalene-3-ol
(4R*,4aS*,5R*,8aS*,9aS*)-9a-ethoxy-4a,5,6,7,8,8a,9,9a-octahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-2(4H)-one|6beta-hydroxy-8alpha-ethoxyeremophil-7(11)-en-12,8beta-olide
(2S,3S,4aR,8aS)-3-(1-hydroxy-1-methylethyl)-5,8a-dimethyl-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl acetate
5-acetoxy-3-(3-hydroxy-3-methylpent-4-enyl)-2,4,4-trimethylcyclohex-2-enone|5-acetoxy-3-(3-hydroxy-3-methylpent-4-enyl)-2,2,4-trimethylcyclohex-2-enone
2-methyloctanoic acid 6-oxo-2-propenyl-3,6-dihydro-2H-pyran-3-yl ester
5S*,10R*-15-acetoxyelema-1,3,11(13)-trien-12,14-diol
7-ethoxymethyl-6-(2-hydroxyethyl)-2-hydroxymethyl--2,5-dimethylindan-4-ol|russujaponol J
4-Ketone, 2-Ac-5(14), 10-Cyclofarnesadiene-2, 4, 9-triol
(3-vinyl-1,2,3,4,6,7,12,12b-octahydro-2,6-methano-indolo[2,3-a]quinolizin-13-yl)-methanol|(9-vinyl-5,6,8,9,10,11,12a,13-octahydro-6,10-methano-indolo[3,2-b]quinolizin-12-yl)-methanol|19,20-dihydro-sarpag-18-en-17-ol|Neosarpagin
((1R,3S,6R,7aR)-(+)-3-ethenyl-1-methyl-6-(1-methylethyl)-5-hydroxy-hexahydrocyclopenta[c]pyran-4-yl)methyl acetate|hodgsonox D
2-acetoxy-Delta9(12)-capnellene-8beta,10alpha-diol
7,8a-divinyl-2,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-fluorene-2,4a,4b,9a-tetraol|HY253
10-methoxy-16-methylene-3,7-seco-6-nor-condyfola-2(7),14(19)-diene|10-methoxy-3,7-seco-6-nor-cura-2(7),16,19-triene|10-Methoxyapparicin|4-ethylidene-10-methoxy-6-methylene-1,3,4,5,6,7-hexahydro-2,5-ethano-azocino[4,3-b]indole
trans-2-<3-(4-methoxyphenyl)-1-propen-2-yl>anethol|trans-2-[3-(4-methoxyphenyl)-1-propen-2-yl]anethol
2beta-acetoxy-6beta,7alpha-dihydroxyoplopa-3(14)Z,8(10)-diene
8,13-dioxo-14,15,17-trinorlabdan-19-oic acid|8,13-Dioxo-14,16,17-trisnorlabdan-19-saeure|8,13-Dioxo-15,16-dinorlabdan-19-saeure
10betaH-6beta-acetoxy-7beta,11beta-epoxyeremophilan-8-one
(2E)-3-[(1R,5R,6R,8aR)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidenenaphthalen-1-yl]prop-2-enoic acid|3,19-dihydroxy-14,15,16-trinor-ent-labda-8(17),11-dien-13-oic acid
2,2-Dimethyl-7-methoxy-5-(2-phenylethyl)-2H-1-benzopyran
(3S,12R)-3-hydroxy-1,7-diazatricyclo[10.4.0.(13,7)]heptadecane-11,16,17-trione|(7S,15aR)-decahydro-7-hydroxy-6H-7,11-methano-4H-pyrido[1,2-a][1,7]diazacyclododecine-4,15,16(12H)-trione|alopecurin A
(7R,8R)-threo-Delta8-7-acetoxy-4-methoxy-8-O-4-neolignan|miliusamollin
Acetic acid 1-(3,5-dihydroxyphenyl)nonane-2-yl ester
Ac-2alpha-2-Hydroxy-4(15),11(13)-eudesmadien-12-oic acid
5alpha,6beta-dihydroxy-9beta-acetoxy-eudesma-4(15),11-dien
1beta-acetoxyl-4(15),11(12)-eudesmen-3beta,5alpha-diol|chrysanthemumol K
(7R,8S)-3-methoxy-4-hydroxy-4?,7-epoxy-8,3?-neolignan-7?[E]-ene
3-(4-Methoxyphenyl)-2-[2-methoxy-5-(2-propenyl)phenyl]propene
1,2-dehydrodesacetyl-retuline|1,2-Dehydrodesacetylretuline
(1beta,7beta,8beta,10beta)-11-O-acetyl-8,11-dihydroxy-4-guaien-3-one|(1beta,7beta,8beta,10beta)-8,11-dihydroxyguai-4-en-3-one 11-acetate|11-(acetyl)torilolone|2-[(5S,6R,8S,8aR)-1,2,4,5,6,7,8,8a-octahydro-6-hydroxy-3,8-dimethyl-2-oxoazulen-5-yl]propan-2-yl acetate
1-heptadecene-4,6-diyne-3,8alpha,9alpha,10beta-tetraol
(1R*,5R*,7S*,9S*,10S*)-9-acetoxy-1(10)-epoxy-5-hydroxygermacra-4(15),11(13)-diene
(14alpha,15alpha)-14,15-epoxyaspidofractinine|(1aR,8bR,11aR,12aS)-4H,12H-1b,3b-ethano-1a,2,3,9,10,12a-hexahydro-11aH-oxireno[6,7]indolizino[8,1-cd]carbazole
(+)-1-((rel-1R,2R,6S,8S,8aS)-2,8-dihydroxy-1,2,6-trimethyl-1,2,6,7,8,8a-hexahydro-naphthalen-1-yl)-3-methoxy-propan-1-one
Koumidine
Annotation level-1
Longistyline A
Longistyline A is a natural product found in Cajanus cajan with data available.
Cinchonine
Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directing chirality in asymmetric synthesis. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents Origin: Plant; Formula(Parent): C19H22N2O; Bottle Name:Cinchonine; PRIME Parent Name:Cinchonine; PRIME in-house No.:V0325; SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids Annotation level-1 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.610 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2401; CONFIDENCE confident structure Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1]. Cinchonine is a natural compound present in Cinchona bark. Cinchonine activates endoplasmic reticulum stress-induced apoptosis in human liver cancer cells[1].
Gingerol
Gingerol is a beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. It has a role as an antineoplastic agent and a plant metabolite. It is a beta-hydroxy ketone and a member of guaiacols. Gingerol is a natural product found in Illicium verum, Piper nigrum, and other organisms with data available. See also: Ginger (part of). A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. Annotation level-1 [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation.
2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione
3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenol
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
6-Gingerol
[6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation. [6]-Gingerol is an active compound isolated from Ginger (Zingiber officinale), exhibits a variety of biological activities including anticancer, anti-inflammation, and anti-oxidation.
C19H22N2O_(3alpha,16alpha)-14,15-Dihydroeburnamenin-14-one
C17H26O4_6-[(2E,4E)-4,6-Dimethyl-2,4-octadienoyl]-2,3-dihydroxy-2-methylcyclohexanone
eburnamonine
D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000970 - Antineoplastic Agents > D014748 - Vinca Alkaloids
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one
Vincamone
Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator. Vincamone is a vinca alkaloid and a metabolite of vincamine, is a vasodilator.
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847634]
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based: Match]
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one [IIN-based on: CCMSLIB00000847635]
(5R)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one_major
Ile-tyr
A dipeptide formed from L-isoleucine and L-tyrosine residues.
Leu-tyr
A dipeptide formed from L-leucine and L-tyrosine residues.
Tyr-ile
A dipeptide formed from L-tyrosine and L-isoleucine residues.
Tyr-leu
A dipeptide formed from L-tyrosine and L-leucine residues.
Rhazinilam
(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene
4-Amino-N-(tert-butoxycarbonyl)-L-phenylalanine Methyl Ester
(S)-tert-butyl3-amino-2-(((benzyloxy)carbonyl)amino)propanoate
1-[2-AMINO-1-(2,5-DIMETHOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
1-[2-AMINO-1-(3,4-DIMETHOXY-PHENYL)-ETHYL]-PYRROLIDINE-3-CARBOXYLICACID
(4-(Diisopropylcarbamoyl)-2-ethoxypyridin-3-yl)boronic acid
tert-butyl 4-(1-cyano-2-ethoxy-2-oxoethylidene)piperidine-1-carboxylate
1-BOC-3-(2-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-(3-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-[(2-FLUOROBENZYL-AMINO)-METHYL]-AZETIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-[(3-FLUOROBENZYL-AMINO)-METHYL]-AZETIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-3-[(4-FLUOROBENZYL-AMINO)-METHYL]-AZETIDINE
C16H23FN2O2 (294.17434699999995)
1-BOC-4-(2-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
tert-butyl 4-(4-fluoroanilino)piperidine-1-carboxylate
C16H23FN2O2 (294.17434699999995)
methyl (2S,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
methyl (2R,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
methyl (2S,3S)-7,7-dimethyl-2-(2-methylpropyl)-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
(1S,2R,5S)-(+)-Menthyl (R)-p-Toluenesulfinate
C17H26O2S (294.16534160000003)
4-ETHYLPHENYLAMINO-1,2-DIMETHYL-6-METHYLAMINOPYRIMIDINIUM CHLORIDE
3-Hexyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene
4,4,5,5-TETRAMETHYL-2-(3,4,5-TRIMETHOXYPHENYL)-1,3,2-DIOXABOROLANE
Noxiptiline
C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate
3-methyl-3-[3-(methylamino)propyl]-1-phenylindol-2-one
TERT-BUTYL 4-(3-FLUOROBENZYL)PIPERAZINE-1-CARBOXYLATE
C16H23FN2O2 (294.17434699999995)
3-(3-FLUORO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H23FN2O2 (294.17434699999995)
3-(4-FLUORO-BENZYLAMINO)-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
C16H23FN2O2 (294.17434699999995)
dihydrogen phosphate,1-methyl-3-octyl-1,2-dihydroimidazol-1-ium
(R)-1-BENZYL-5-HYDROXYMETHYL-2-PYRROLIDINONE
C16H23FN2O2 (294.17434699999995)
4-[(4-FLUOROPHENYL)METHYL]-1,1-PIPERAZINECARBOXYLIC ACID, 1,1-DIMETHYLETHYL ESTER
C16H23FN2O2 (294.17434699999995)
2-(5-hexylthiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
1-BOC-3-(4-FLUORO-PHENYLAMINO)-PIPERIDINE
C16H23FN2O2 (294.17434699999995)
4-Benzylbenzeneboronic acid pinacol ester
C19H23BO2 (294.17910079999996)
1-(3,5-DIMETHYL-PHENYL)-PYRROLE-2,5-DIONE
C16H23FN2O2 (294.17434699999995)
methyl (2R,3S)-2-butyl-7,7-dimethyl-5-oxo-3,4,6,8-tetrahydro-2H-chromene-3-carboxylate
2-(3-benzylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
C19H23BO2 (294.17910079999996)
(S)-5,5,6,6,7,7,8,8-octahydro-[1,1-binaphthalene]-2,2-diol
(1R,2S,5R)-(-)-MENTHYL (S)-P-TOLUENESULFINATE
C17H26O2S (294.16534160000003)
Retinoid 9CUAB30
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent
Benzoic acid, 4-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, (E)-
Methyl 3-(4-aminophenyl)-2-[(tert-butoxycarbonyl)amino]propanoate
1-(2-(2-Methyl-5-pyridyl)ethyl)-5-methoxy-2,3-dimethylindole
Norgestrienone
G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03A - Hormonal contraceptives for systemic use > G03AC - Progestogens C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents
2H-Indol-2-one, 1,3-dihydro-3-methyl-3-(3-(methylamino)propyl)-1-phenyl-, (S)-
TIADENOL
C - Cardiovascular system > C10 - Lipid modifying agents > C10A - Lipid modifying agents, plain C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites
2-Quinuclidinemethanol, alpha-4-quinolyl-5-vinyl-
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
[(1S,12S,13R,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
(S)-[(2S,4R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
[3-Carboxy-2-(3,4,5-trihydroxypentanoyloxy)propyl]-trimethylazanium
C12H24NO7+ (294.15526939999995)
(R)-[(2R,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
10-Deoxysarpagine
An indole alkaloid that is sarpagan bearing a hydroxy group at position 17.
N-(2,4-dimethoxyphenyl)-3-(4-morpholinyl)propanamide
6-[(2E,4E)-4,6-dimethylocta-2,4-dienoyl]-2,3-dihydroxy-2-methylcyclohexan-1-one
2,4-dimethyl-N-[4-(1-pyrrolidinyl)phenyl]benzamide
(3,4-Dimethylphenyl)-(4-phenyl-1-piperazinyl)methanone
4-methyl-N-(3-methyl-1-phenylbutylidene)benzohydrazide
(2S,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
N-[(3R,5Z,12S)-2,11-dioxo-10-oxa-1-azabicyclo[10.3.0]pentadec-5-en-3-yl]acetamide
(2R,3S,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3S,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
(2R,3S,4S)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile
N-butyl-N(2)-[(R)-2-hydroxy-2-phenylacetyl]-L-serinamide
(R)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol
VQW-765
VQW-765 (AQW-051) is a selective and orally active alpha-7 nicotinic acetylcholine receptor (α7-nAChR) agonist with a pKD value of 7.56 to recombinantly expressed human α7-nAChR. VQW-765 shows anxiolytic-like effect in vivo. VQW-765 can be used for the research of anxiety disorder and acute performance anxiety[1].
15-ethyl-1,11-diazapentacyclo[9.6.2.0²,⁷.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-2,4,6,8(18)-tetraen-17-one
n-[(1z)-hex-1-en-1-yl]-n-[3-(2-oxo-5h-furan-3-yl)propanoyl]ethanehydrazonic acid
1-hydroxy-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl acetate
(3ar,4r,6ar)-4-decyl-3-methylidene-dihydro-3ah-furo[2,3-c]furan-2,6-dione
4a-(hydroxymethyl)-2-isopropyl-8-methyl-6-oxo-1,2,3,4,5,8a-hexahydronaphthalen-1-yl acetate
(1as,5s,6r,7r,7br)-5,6-dihydroxy-3,3,5,7b-tetramethyl-1h,1ah,2h,4h,6h,7h-cyclopropa[e]azulen-7-yl acetate
(1r,16z)-16-ethylidene-2-methylidene-4,14-diazatetracyclo[12.2.2.0³,¹¹.0⁵,¹⁰]octadeca-3(11),5,7,9-tetraen-1-ol
(2r,4as,4br,7s,8as,9as)-7,8a-diethenyl-octahydro-1h-fluorene-2,4a,4b,9a-tetrol
1-hydroxy-1,4a-dimethyl-6-oxo-7-(propan-2-ylidene)-hexahydronaphthalen-2-yl acetate
2-[(3-amino-1,2-dihydroxy-4-phenylbutylidene)amino]-3-methylbutanoic acid
5,6-dihydroxy-3,3,5,7b-tetramethyl-1h,1ah,2h,4h,6h,7h-cyclopropa[e]azulen-7-yl acetate
5-[(acetyloxy)methyl]tetradeca-2,4,6-trienoic acid
(2s,4r)-11-methoxy-4-methyl-9-(2-phenylethyl)-6-oxatricyclo[5.4.0.0²,⁴]undeca-1(7),8,10-triene
[(1r,9s,11s,12z)-12-ethylidene-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0⁹,¹⁴]octadeca-2,4,6,17-tetraen-18-yl]methanol
(4s,6e,10r)-10-hydroxy-2,6,10-trimethyl-8-oxododeca-2,6,11-trien-4-yl acetate
[(13e,18r)-13-ethylidene-1,11-diazapentacyclo[12.3.1.0²,⁷.0⁸,¹⁷.0¹¹,¹⁶]octadeca-2,4,6,8(17)-tetraen-18-yl]methanol
(1r,5as,9r,9as,9bs)-1-hydroxy-6,6,9a-trimethyl-1h,3h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-9-yl acetate
2-[(1r,5r,8s,11s)-5,8-dimethyl-2,6-dioxatricyclo[6.4.0.0¹,⁵]dodec-3-en-11-yl]propan-2-yl acetate
(1s,3as,4s,6r)-7-formyl-1-(hydroxymethyl)-1,3,3,6-tetramethyl-3a,4,5,6-tetrahydro-2h-inden-4-yl acetate
1-ethylidene-5,6-dihydroxy-7-isopropyl-4-methylidene-hexahydro-2h-inden-2-yl acetate
(1s,9s,10r,12s,13e,16r,18s)-13-ethylidene-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-trien-18-ol
4-(3-methylbut-2-en-1-yl)-6-[(2e)-3-phenylprop-2-en-1-yl]benzene-1,3-diol
(1s,2s,4s,6r,7s,8r)-2,7-dihydroxy-8,11,11-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate
(2s)-2-{[(2s)-2-amino-1-hydroxy-4-methylpentylidene]amino}-3-(4-hydroxyphenyl)propanoic acid
1,10-dihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-5-yl acetate
(1r,2s,5s,6s,8s,10s)-1,10-dihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-5-yl acetate
5,8-dihydroxy-5,9,13,14-tetramethyl-1-oxacyclotetradeca-3,6,9-trien-2-one
(1r,2r,3e,5r,8e)-9-formyl-5-hydroxy-2-isopropyl-5-methylcyclodeca-3,8-dien-1-yl acetate
1β,6α-dihydroxycosticacid ethyl ester
{"Ingredient_id": "HBIN002374","Ingredient_name": "1\u03b2,6\u03b1-dihydroxycosticacid ethyl ester","Alias": "NA","Ingredient_formula": "C17H26O4","Ingredient_Smile": "CCOC(=O)C(=C)C1CCC2(C(CCC(=C)C2C1O)O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15103","TCMID_id": "5794","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}