Exact Mass: 232.1587
Exact Mass Matches: 232.1587
Found 500 metabolites which its exact mass value is equals to given mass value 232.1587,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Isoalantolactone
Isoalantolactone is a sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. It has a role as an apoptosis inducer, an antifungal agent and a plant metabolite. It is a sesquiterpene lactone and a eudesmane sesquiterpenoid. Isoalantolactone is a natural product found in Eupatorium cannabinum, Critonia quadrangularis, and other organisms with data available. Isoalantolactone is found in herbs and spices. Isoalantolactone is a constituent of the essential oil of Inula helenium (elecampane) Constituent of the essential oil of Inula helenium (elecampane). Isoalantolactone is found in herbs and spices. Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent. Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent.
Asterolide
Atractylenolide II is a sesquiterpene lactone. Atractylenolide II is a natural product found in Chloranthus henryi, Atractylodes macrocephala, and other organisms with data available. Atractylenolide II is a sesquiterpene compound isolated from the dried rhizome of Atractylodes macrocephala (Baizhu in Chinese); anti-proliferative activity. IC50 value: 82.3 μM(B16 melanoma cell, 48 h) [1] Target: anticancer natural compound in vitro: AT-II treatment for 48 h dose-dependently inhibited cell proliferation with an IC(50) of 82.3 μM, and induced G1 phase cell cycle arrest. Moreover, treatment with 75 μM AT-II induced apoptosis. These observations were associated with the decrease of the expression of Cdk2, phosphorylated-Akt, phosphorylated-ERK and Bcl-2, the increase of the expression of phosphorylated-p38, phosphorylated-p53, p21, p27, and activation of caspases-8, -9 and -3. In addition, a chemical inhibitor of p53, PFTα, significantly decreased AT-II-mediated growth inhibition and apoptosis [1]. In B16 and A375 cells, AT-II (20, 40 μm) treatment for 48 h dose-dependently reduced protein expression levels of phospho-STAT3, phospho-Src, as well as STAT3-regulated Mcl-1 and Bcl-xL. Overexpression of a constitutively active variant of STAT3, STAT3C in A375 cells diminished the antiproliferative and apoptotic effects of AT-II [2]. in vivo: Daily administration of AT-II (12.5, 25 mg/kg, i.g.) for 14 days significantly inhibited tumor growth in a B16 xenograft mouse model and inhibited the activation/phosphorylation of STAT3 and Src in the xenografts [2]. Atractylenolide II is a sesquiterpene compound isolated from the dried rhizome of Atractylodes macrocephala (Baizhu in Chinese); anti-proliferative activity. IC50 value: 82.3 μM(B16 melanoma cell, 48 h) [1] Target: anticancer natural compound in vitro: AT-II treatment for 48 h dose-dependently inhibited cell proliferation with an IC(50) of 82.3 μM, and induced G1 phase cell cycle arrest. Moreover, treatment with 75 μM AT-II induced apoptosis. These observations were associated with the decrease of the expression of Cdk2, phosphorylated-Akt, phosphorylated-ERK and Bcl-2, the increase of the expression of phosphorylated-p38, phosphorylated-p53, p21, p27, and activation of caspases-8, -9 and -3. In addition, a chemical inhibitor of p53, PFTα, significantly decreased AT-II-mediated growth inhibition and apoptosis [1]. In B16 and A375 cells, AT-II (20, 40 μm) treatment for 48 h dose-dependently reduced protein expression levels of phospho-STAT3, phospho-Src, as well as STAT3-regulated Mcl-1 and Bcl-xL. Overexpression of a constitutively active variant of STAT3, STAT3C in A375 cells diminished the antiproliferative and apoptotic effects of AT-II [2]. in vivo: Daily administration of AT-II (12.5, 25 mg/kg, i.g.) for 14 days significantly inhibited tumor growth in a B16 xenograft mouse model and inhibited the activation/phosphorylation of STAT3 and Src in the xenografts [2].
Alantolactone
Alantolactone is a sesquiterpene lactone that is 3a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2-one bearing two methyl substituents at positions 5 and 8a as well as a methylidene substituent at position 3. It has a role as a plant metabolite, an apoptosis inducer and an antineoplastic agent. It is a sesquiterpene lactone, a naphthofuran and an olefinic compound. Alantolactone is a natural product found in Eupatorium cannabinum, Pentanema britannicum, and other organisms with data available. Alantolactone is found in herbs and spices. Alantolactone is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). Alantolactone is found in herbs and spices. Alantolactone is a selective STAT3 inhibitor, with potent anticancer activity. Alantolactone induces apoptosis in cancer[1][2][3]. Alantolactone is a selective STAT3 inhibitor, with potent anticancer activity. Alantolactone induces apoptosis in cancer[1][2][3].
Costunolide
Costunolide is a germacranolide with anthelminthic, antiparasitic and antiviral activities. It has a role as an anthelminthic drug, an antiinfective agent, an antineoplastic agent, an antiparasitic agent, an antiviral drug and a metabolite. It is a germacranolide and a heterobicyclic compound. (+)-Costunolide is a natural product found in Magnolia garrettii, Critonia morifolia, and other organisms with data available. Constituent of costus root (Saussurea lappa). Costunolide is found in tarragon, sweet bay, and herbs and spices. Costunolide is found in herbs and spices. Costunolide is a constituent of costus root (Saussurea lappa) D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents INTERNAL_ID 2266; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2266 D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors Costunolide ((+)-Costunolide) is a naturally occurring sesquiterpene lactone, with antioxidative, anti-inflammatory, antiallergic, bone remodeling, neuroprotective, hair growth promoting, anticancer, and antidiabetic properties. Costunolide can induce cell cycle arrest and apoptosis on breast cancer cells[1][2][3]. Costunolide ((+)-Costunolide) is a naturally occurring sesquiterpene lactone, with antioxidative, anti-inflammatory, antiallergic, bone remodeling, neuroprotective, hair growth promoting, anticancer, and antidiabetic properties. Costunolide can induce cell cycle arrest and apoptosis on breast cancer cells[1][2][3].
beta-cyclocostunolide
Eremofrullanolide
2,6-Pipecoloxylidide
2,6-Pipecoloxylidide is a metabolite of bupivacaine. Bupivacaine is a local anaesthetic drug belonging to the amino amide group. It is commonly marketed under various trade names, including Marcain, Marcaine (CareStream Dental), Sensorcaine (Astra Zeneca) and Vivacaine (Septodont). (Wikipedia)
3beta-Hydroxyatractylon
An organic heterotricyclic compound that is (4aR,8aR)-8a-methyl-4,4a,5,6,7,8,8a,9-octahydronaphtho[2,3-b]furan substituted by a methyl group, methylidene group and a hydroxy group at positions 3, 5 and 6S, respectively. It is a sesquiterpenoid isolated from the plant, Atractylodes lancea.
8-Epi-inunolide
A germacranolide that is (3aR,5E,9E,11aS)-2,3,3a,4,7,8,11,11a-octahydrocyclodeca[b]furan substituted by an oxo group, methylidene group, methyl group and methyl group at positions 2,3,6 and 10, respectively.
norfentanyl
norfentanyl is a metabolite of fentanyl. Fentanyl (also known as fentanil, brand names Sublimaze, Actiq, Durogesic, Duragesic, Fentora, Matrifen, Haldid, Onsolis, Instanyl, Abstral, Lazanda and others) is a potent, synthetic narcotic analgesic with a rapid onset and short duration of action. It is a strong agonist at the μ-opioid receptors. Historically it has been used to treat breakthrough pain and is commonly used in pre-procedures as a pain reliever as well as an anesthetic in combination with a benzodiazepine. (Wikipedia)
Furanogermenone
Furanogermenone is found in ginger. Furanogermenone is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary). Furanogermenone is found in ginger.
Germacrone-13-al
Germacrone-13-al is found in herbs and spices. Germacrone-13-al is a constituent of Curcuma longa (turmeric). Constituent of Curcuma longa (turmeric). Germacrone-13-al is found in turmeric and herbs and spices.
Pterosin O
Pterosin O is found in green vegetables. Pterosin O is isolated from Pteridium aquilinum (bracken fern
(7b,10a)-3-Hydroxy-1,3,5-cadinatrien-9-one
(7b,10a)-3-Hydroxy-1,3,5-cadinatrien-9-one is found in fats and oils. (7b,10a)-3-Hydroxy-1,3,5-cadinatrien-9-one is a constituent of Gossypium hirsutum (cotton). Constituent of Gossypium hirsutum (cotton). 7-Hydroxy-2-calamenenone is found in fats and oils.
(E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one
(E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one is found in potato. (E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one is isolated from fungus-infected Ipomoea batatas (sweet potato). Isolated from fungus-infected Ipomoea batatas (sweet potato). (E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one is found in root vegetables and potato.
Furoeremophilone 1
Furoeremophilone 1 is found in green vegetables. Furoeremophilone 1 is a constituent of Smyrnium olusatrum (alexanders) Constituent of Smyrnium olusatrum (alexanders). Furoeremophilone 1 is found in green vegetables.
Turmeronol B
Turmeronol B is found in herbs and spices. Turmeronol B is a constituent of turmeric (Curcuma longa). Constituent of turmeric (Curcuma longa). Turmeronol B is found in turmeric and herbs and spices.
Collybial
Collybial is found in mushrooms. Collybial is a constituent of Collybia confluens (clustered tough shank). Constituent of Collybia confluens (clustered tough shank). Collybial is found in mushrooms.
Turmeronol A
Turmeronol A is found in herbs and spices. Turmeronol A is a constituent of turmeric (Curcuma longa). Constituent of turmeric (Curcuma longa). Turmeronol A is found in turmeric and herbs and spices.
(Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate
(Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate is found in fats and oils. (Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate is a constituent of Carthamus tinctorius (safflower) Constituent of Carthamus tinctorius (safflower). (Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate is found in fats and oils and herbs and spices.
6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene
6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene is found in herbs and spices. 6-[(3,4-Methylenedioxy)phenyl]-3,3-dimethyl-1-hexene is a constituent of Ruta graveolens (rue)
1(10),11-Eremophiladiene-2,9-dione
1(10),11-Eremophiladiene-2,9-dione is found in citrus. 1(10),11-Eremophiladiene-2,9-dione is a constituent of grapefruit (Citrus paradisi) juice Constituent of grapefruit (Citrus paradisi) juice. 1(10),11-Eremophiladiene-2,9-dione is found in citrus.
10,11-Epidioxycalamene
10,11-Epidioxycalamene is found in root vegetables. 10,11-Epidioxycalamene is a constituent of Cyperus rotundus (nutgrass). Constituent of Cyperus rotundus (nutgrass). 10,11-Epidioxycalamene is found in root vegetables.
Alloalantolactone
Alloalantolactone is found in herbs and spices. Alloalantolactone is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). Alloalantolactone is found in herbs and spices.
(S)-Bilobanone
(S)-Bilobanone is found in fats and oils. (S)-Bilobanone is a constituent of Ginkgo biloba (ginhgo) Constituent of Ginkgo biloba (ginhgo). (S)-Bilobanone is found in ginkgo nuts and fats and oils.
1,3,11(13)-Eudesmatrien-12-oic acid
1,3,11(13)-Eudesmatrien-12-oic acid is found in fats and oils. 1,3,11(13)-Eudesmatrien-12-oic acid is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 1,3,11(13)-Eudesmatrien-12-oic acid is found in fats and oils.
Tymazoline
Tymazoline is only found in individuals that have used or taken this drug. It is a nasal preparation.Thymazen causes vasoconstriction of the nasal mucosa, reducing congestion and thus the swelling of the mucosa. Also reduces the secretions from the nose. Thymazen acts on alpha-adrenergic receptors, which reduces local inflammation of the nasal mucosa especially if their cause is an allergy. R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
alpha-Amylcinnamyl formate
alpha-Amylcinnamyl formate is a flavouring ingredien Flavouring ingredient
3-Mercaptohexyl hexanoate
3-Mercaptohexyl hexanoate is a flavouring agent. Flavouring agent
Atractylenolide II
Dehydrodihydrocostus lactone
Dehydrodihydrocostus lactone 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. Dehydrodihydrocostus lactone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dehydrodihydrocostus lactone can be found in burdock, which makes dehydrodihydrocostus lactone a potential biomarker for the consumption of this food product.
ent-cis-beta-Cyclocostunolide
(+)-Frullanolide
Geigeranolide
Isoasterolide A
[3aR-(3aalpha,5beta,6alpha,7aalpha)]-6-Ethenylhexahydro-6-methyl-3-methylene-5-(1-methylethenyl)-2(3H)-benzofuranone
Isoalloalantolactone
Callitrisin
(+)-Stemonolone
5-Methyl-2-(1,5-dimethyl-4-hexenyl)-2,5-cyclohexadiene-1,4-dione
(E)-2-(1,5-Dimethyl-1,4-hexadienyl)-5-methyl-1,4-benzenediol
[1aR-(1aalpha,4beta,4abeta,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan
(1R)-4c-Allyl-(11ac)-1,4,5,6,9,10,11,11a-octahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-on|(1R)-4c-allyl-(11ac)-1,4,5,6,9,10,11,11a-octahydro-1r,5c-methano-pyrido[1,2-a][1,5]diazocin-8-one
(10R,11R)-dihydroxydodecanoic acid|10(R),11(R)-dihydroxydodecanoic acid
(-)-(3S,6R)-3,6-dihydroxy-10-methylundecanoic acid|(3S,6R)-3,6-dihydroxy-10-methylundecanoic acid
Araliadiol
Araliadiol is a natural product found in Aralia cordata with data available.
Norfentanyl
A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of 4-(N-phenyl)piperidin-4-amine with propanoic acid. A major metabolite of fentanyl. CONFIDENCE standard compound; EAWAG_UCHEM_ID 3612 EAWAG_UCHEM_ID 3612; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 1552
LID_233.1648_14.5
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 804
Pernazene
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
2-(2,5-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
8a-(4-methoxyphenyl)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrimidine
1,3,2-Dioxaborinane,5-methyl-2-(4-methylphenyl)-5-propyl-
2-(3,5-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
4-[(4-methylperhydro-1,4-diazepin-1-yl)methyl]benzaldehyde
1-Methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-imidazole
(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)BORONIC ACID
(S)-2-amino-3-phenyl-1-(piperidin-1-yl)propan-1-one
2-(2,3-Dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
2-(3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
3-Aminomethyl-3-fluoropiperidine-1-carboxylic acid tert-butyl ester
TERT-BUTYL-4-AMINOMETHYL-4-FLUOROPIPERIDINE-1-CARBOXYLATE
4,4,5,5-Tetramethyl-2-(1-phenylethyl)-1,3,2-dioxaborolane
1-(4-((4-METHYLPIPERAZIN-1-YL)METHYL)PHENYL)ETHANONE
tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate
2,4,6-Trimethylbenzeneboronic acid neopentyl glycol cyclic ester
4,4,5,5-TETRAMETHYL-2-(4-METHYLBENZYL)-1,3,2-DIOXABOROLANE
ETHYL (S)-(-)-2-(TERT-BUTYLDIMETHYLSILYLOXY)PROPIONATE
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
(S)-N-tert-Butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
3-{3-[(Dimethylamino)methyl]-1h-Indol-7-Yl}propan-1-Ol
TYMAZOLINE
R - Respiratory system > R01 - Nasal preparations > R01A - Decongestants and other nasal preparations for topical use > R01AA - Sympathomimetics, plain C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist
N-(2,6-dimethylphenyl)-N2-ethenyl-N2-ethylglycinamide
[(2R)-2-Butanoyloxy-3-carboxypropyl]-trimethylazanium
(S)-N-(2,6-Dimethylphenyl)-2-piperidinecarboxamide
Hypusinate
A L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of hypusine.
3,12-Dihydroxylauric acid
A dihydroxy monocarboxylic acid that consists of lauric (dodecanoic) acid bearing two hydroxy substituents at positions 3 and 12.
2-(Butanoyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium
(3R)-3,12-dihydroxylauric acid
A dihydroxy monocarboxylic acid that is 12-hydroxylauric acid in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group.
3-Carboxy-N,N,N-trimethyl-2-[(2-methylpropanoyl)oxy]propan-1-aminium
(3R,11R)-3,11-dihydroxylauric acid
An (omega-1)-hydroxy fatty acid that is (11R)-11-hydroxylauric acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
