Exact Mass: 232.1376
Exact Mass Matches: 232.1376
Found 500 metabolites which its exact mass value is equals to given mass value 232.1376,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 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
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.
Threonylleucine
Threonylleucine is a dipeptide composed of threonine 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.
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.
Spermic acid 2
Spermic acid 2 is a diamide which is identified as urinary metabolites. of putrescine and spermine, and was subsequently identified and quantified. in urines of healthy persons and cancer patients. Spermic acid 2 is a diamide which is identified as urinary metabolites
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.
Threonylisoleucine
Threonylisoleucine is a dipeptide composed of threonine 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.
Isoleucyl-Threonine
Isoleucyl-Threonine is a dipeptide composed of isoleucine and threonine. 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-Threonine
Leucyl-Threonine is a dipeptide composed of leucine and threonine. 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.
alpha-Amylcinnamyl formate
alpha-Amylcinnamyl formate is a flavouring ingredien Flavouring ingredient
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.
1,2-dibutyrin
1,2-dibutyrin, also known as alpha,beta-dibutyrine or (2-butanoyloxy-3-hydroxypropyl) butanoate, is a member of the class of compounds known as 1,2-diacylglycerols. 1,2-diacylglycerols are diacylglycerols containing a glycerol acylated at positions 1 and 2. 1,2-dibutyrin is soluble (in water) and a very weakly acidic compound (based on its pKa). 1,2-dibutyrin can be found in a number of food items such as swede, french plantain, roman camomile, and millet, which makes 1,2-dibutyrin a potential biomarker for the consumption of these food products.
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
[3R-(3alpha,3aalpha,4aalpha,9aalpha)]-3a,4,4a,7,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2(3H)-one
(4S,5S,7R,8R)-10(14),11(13)-Ratibidadien-12,8-olide
Brothenolide
2,2,8-trimethyl-1,2,3,3a,8,8a-hexahydroazulene-5,6-dicarbaldehyde
Dugesialactone
(+)-beta-Cyclocostunolide
Tournefortiolide
Diplophyllolide A
Diplophyllin
Isoasterolide B
(+)-beta-Frullanolide
Morifolin B
[1aS-(1aalpha,4alpha,4aalpha,9aS*)]-1a,2,4,4a,5,9-Hexahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan
Xanthanodiene
[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4,4a,5,6,7,8,9a-Octahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2(3H)-one
Mebutamate
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BC - Carbamates C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
(+/-)-ligularone|6-Oxo-10betaH-furoeremophilan|Furanoeremophilon-(6)|Ligularon|Ligularone|liguralone|Lugularon
(4R)-3,3a,4,5-tetrahydro-1,4-dimethyl-7-(1-methylethyl)azulene-2,6-dione
6-(4-HYDROXY-3-METHYLPHENYL)-2-METHYLHEPT-2-EN-4-ONE
pentadeca-1,8t-diene-4,6-diyne-3,10-diol|Pentadecadien-(1,8)-diin-(4,6)-diol-(3,10)
4-(2,6-Dimethylbenzyl)-5,5-dimethyltetrahydrofuran-2-one
4(13),7-coloratadien-11,12-olide|4(13),7-coloratadiene-12,11-olide
(1beta,5alpha,6beta,11betaH)-4(15),9-Guaiadien-12,6-olide
7-methylene-4-isopropyl-12-oxa-tricyclo[4.4.2.01,5]-9-dodecen-2-one
(4aR*,6R*,8aS*)-4,4,7-trimethyl-4,4a,5,6,8a,9-hexahydronaphtho<2,3-b>furan-6-ol|(4aR*,6R*,8aS*)-4,4,7-trimethyl-4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan-6-ol|4,4-dimethyl-cis-(4,4a,5,6,8a,9-hexahydronaphtho<2,3-b>furan-7-yl)methanol|4,4-dimethyl-cis-(4,4a,5,6,8a,9-hexahydronaphtho[2,3-b]furan-7-yl)methanol
(1(10)E,4Z)-8,12-Epoxy-1(10),4,7,11-germacratetraen-15-ol
eudesm-4(15),11(13)-diene-12,5beta-olide|Eudesma-4(15),11(13)-dien-12,5??-olide
(E)-8-Hydroxy-9-pentadecene-11,13-diyn-2-one|8-hydroxy-pentadeca-(9E)-ene-11,13-diyn-2-one|8-hydroxypentadec-(9E)-ene-11,13-diyn-2-one|8-hydroxypentadeca-(9E)-ene-11,13-diyn-2-one|8-hydroxypentadeca-9E-ene-11,13-diyn-2-one
12,15-Dioxo-selina-4,14-dien|4,11-selinadiene-12,15-dial|selina-4,11-diene-12,14-dial
3-hydroxy-3-methyl-adipic acid diethyl ester|3-Hydroxy-3-methyl-adipinsaeure-diaethylester|3-Hydroxy-3-methylglutarsaeurediethylester
(-)-(R)-(ar)-curcumen-12-oic acid|(R)-Curcumenoic acid
(4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one
4-Allyl-2-methoxy-6-(2-methyl-3-butene-2-yl)phenol
(2R*,3R*,6R*)-2,6,9-trimethyl-3,4,5,6-tetrahydro-2,6-methano-2H-1-benzoxocin-3-ol
mitchellene B
A sesquiterpene lactone isolated from the leaves of Eremophila mitchellii.
3-(2,6-dimethyl-2,6,7,8,8a-pentahydronaphthalen-1-ylidene)propanoic acid|monascusic acid E
6-Hydroxy-5-isopropyl-3,8-dimethyl-1,2-dihydronaphthalene-4(3H)-one
3-(2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-propenoic acid|monascusic acid D
2,4,6,7,8,8a-hexahydro-3,8-dimethyl-4-(1-methylethylidene)azulene-2,5(1H,4H)-dione|Melicodenone B
9-furan-3-yl-2,6-dimethyl-nona-2,5-dien-4-one|dihydrophymaspermone
2-<6(oder 8)-Hydroxy-4-methyl-1-methylen-1.2.3.5.6.7.8.9-octahydro-azulen-7-yl>-propionsaeure-lacton; Grilacton|2-[6(oder 8)-Hydroxy-4-methyl-1-methylen-1.2.3.5.6.7.8.9-octahydro-azulen-7-yl]-propionsaeure-lacton; Grilacton|alpha-Isogrilacton|Grilacton|grilactone
(3S*,4R*,5S*)-5-(1,3-dihydroxy-2-methylbutyl)-4,5-dihydro-4-hydroxy-3,5-dimethylfuran-2(3H)-one|xylariolide C
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. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics A germacranolide with anthelminthic, antiparasitic and antiviral activities. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents 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].
(3S,3aR,8bS)-(-)-2,3,3a,8b-Tetrahydro-3-hydroxy-3,3a,6,8b-tetramethyl-1H-cyclopentabenzofuran|(3S,3aR,8bS)-(-)-2,3,3a,8b-Tetrahydro-3-hydroxy-3,3a,6,8b-tetramethyl-1H-cyclopenta[b]benzofuran|(3S,3aR,8bS)-2,3,3a,8b-tetrahydro-3-hydroxy-3,3a,6,8b-tetramethyl-1H-cyclopenta[b]benzofuran|3alpha-hydroxydebromoaplysin
1H-inden-1-one, 2,3-dihydro-6-hydroxy-2,2,7-trimethyl-4-(1-methylethyl)-
(3R*,4S*,5S*)-4,5-dihydro-5-(1,2-dihydroxy-2-methylbutyl)-4-hydroxy-3,5-dimethylfuran-2(3H)-one|xylariolide B
(2S,4R,5S,6R,7R)-2-hydroxy-1(10)-aromadendren-14-oic acid 2,14-lactone
(1(10)E,4E)-1(10),4,11(13)-Germacratriene-12,14-dial
(4R,9R,10R)-(+)-african-1(5)-ene-2,6-dione|2(6)-Africanene-1, 5-dione
6-Dehydropetasol
2-Hydroxy-5-isopropyl-8-methyl-5,6,7,8-tetrahydro-3-naphthaldehyd
5a,9-dimethyl-3-methylene-3,3a,4,5,5a,6,7,8-octahydro-1-oxacyclopenta[c]azulen-2-one
(1R*,2R*,4R*,7R*,12R*)-8-methylenetetracyclo[5.3.2.0(2,4).0(4,12)]dodec-2-ylacetic acid|echinopine A
6,15-epoxy-10beta-H-furanoeremophilane|6alpha,15-epoxyfuranoeremophilane
Araliadiol
Araliadiol is a natural product found in Aralia cordata with data available.
Isoalantolactone
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.234 Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent. Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent.
C15H20O2_2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (4aR,5R,6R)
Leu-THR
A dipeptide composed of L-leucine and L-threonine joined by a peptide linkage.
THR-Leu
A dipeptide formed from L-threonine and L-leucine residues.
5-(4,4-Dimethyl-5-hexenyl)-1,3-benzodioxole, 9ci
1(10),11-Eremophiladiene-2,9-dione
Alloalantolactone
1,3,11(13)-Eudesmatrien-12-oic acid
(E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one
8-Epiasterolide
ethyl (3r,5s)-6-hydroxy-3,5-o-iso-propylidene-3,5-dihydroxyhexanoate
N-(tert-Butoxycarbonyl)-L-alanine N-Methoxy-N-MethylaMide
1-(3-PIPERIDINYLCARBONYL)PIPERIDINEMONOHYDROCHLORIDE
n-alpha-boc-(+/-)-2-amino-3-(dimethylamino)propionic acid
5-(5-Amino-3-(tert-butyl)-1H-pyrazol-1-yl)pyridin-2(1H)-one
N-Allyl-N,N-dimethyl-2-propen-1-aminium chloride - acrylamide (1: 1:1)
piperidine, 1-(4-piperidinylcarbonyl)-, hydrochloride
tert-butyl N-[3-[methoxy(methyl)amino]-3-oxopropyl]carbamate
(R)-TERT-BUTYL1-(METHOXY(METHYL)AMINO)-1-OXOPROPAN-2-YLCARBAMATE
Trimethylsilylketene Ethyl Trimethylsilyl Acetal (mixture of isomers)
2-Ethyl-8-methyl-2,8-diazaspiro[4.5]decan-1-one hydrochloride (1: 1)
N-α-BOC-(R)-2-AMINO-3-(DIMETHYLAMINO)PROPIONIC ACID
1-[2-(4-fluorophenyl)ethyl]piperidine-4-carbonitrile
(4aS,7R)-3-Hydroxy-7-isopropenyl-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-1(4aH)-one
1-(4,6-Dimethylpyrimidin-2-yl)-4-ethyl-3-methyl-1H-pyrazol-5-ol
2-(1,4-diazepan-1-yl)-5-methyl[1,3]oxazolo[4,5-b]pyridine(SALTDATA: FREE)
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
Piperazine adipate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
1,2-dibutyrin
A dibutyrin resulting from the condensation the secondary hydroxy group and one of the primary hydroxy groups of glycerol with butyric acid.
2-Hepten-4-one, 6-(2-hydroxy-4-methylphenyl)-2-methyl-
DIBUTYRIN
A diglyceride resulting from the formal condensation of any two of the hydroxy groups of glycerol with the carboxy groups of two molecules of butanoic acid (either R1 = H and R2 = butanoyl, or R1 = butanoyl and R2 = H). A closed class.
6-Amino-3-methyl-4-(2-methylpropyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
(3aR,5E,9E,11aR)-6,10-dimethyl-3-methylene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
2-Ethenyl-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-6-ol
atractylenolideII
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].
AI3-31148
Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent. Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent.
Costunolid
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents 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].
(3aR,5E,11aS)-6,10-dimethyl-3-methylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2-one
Igalan
A sesquiterpene lactone that is hexahydro-1-benzofuran-2(3H)-one substituted by a methyl group at position 6, methylene group at position 3, isopropenyl group at position 5 and a vinyl group at position 6. Isolated from Inula helenium and Rudbeckia laciniata, it exhibits antiproliferative activity.
(-)-Rel-acora-2,4(14),8-trien-15-oic acid
A natural product found in Metasequoia glyptostroboides.
Indicanone
A guaiane sesquiterpenoid that is 4,5,6,7-tetrahydroazulen-2(1H)-one substituted by a hydroxymethyl group at position 8, a methyl group at position 3 and an isopropenyl group at position 5. Isolated from the roots of Wikstroemia indica, it exhibits antiinflammatory activity.
5-(Undeca-3,5,7-trien-1-yl)furan-2-ol
A member of the class of furans that is furan-2-ol in which the hydrogen at position 5 has been replaced by a undeca-3,5,7-trien-1-yl group. The configuration of the undecatrienyl double bonds is not stated.
Costunlide
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D000890 - Anti-Infective Agents > D000998 - Antiviral Agents 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].
Isohelenin
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. A sesquiterpene lactone of the eudesmanolide group. It has been isolated from Inula helenium. Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent. Isoalantolactone is an apoptosis inducer, which also acts as an alkylating agent.
Helenin
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. 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. 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].
1,3-dibutyrin
A dibutyrin resulting from the condensation of both of the primary hydroxy groups of glycerol with butyric acid.
8-Amino-7-(carboxyamino)nonanoate
8-Amino-7-(carboxyamino)nonanoate is an organic compound that belongs to the class of amino acid derivatives. In this molecule, the amino group (-NH2) and the carboxy group (-COOH) are typical functional groups found in amino acids, and they are attached to the 8th and 7th carbon atoms of a nonanoic acid chain, respectively. Nonanoic acid is a nine-carbon fatty acid, and the presence of these functional groups at specific positions on the chain modifies its chemical properties, making it distinct from simple nonanoic acid. The compound's chemical formula is C11H22N2O4, indicating that it contains 11 carbon atoms, 22 hydrogen atoms, 2 nitrogen atoms, and 4 oxygen atoms. The amino and carboxy groups are both polar, which means that 8-Amino-7-(carboxyamino)nonanoate is likely to be soluble in water and may participate in various chemical reactions typical of amino acids, such as peptide bond formation. In biological systems, amino acids and their derivatives play crucial roles in protein synthesis, metabolism, and signaling. The specific functions of 8-Amino-7-(carboxyamino)nonanoate would depend on its occurrence in nature, if any, and how it interacts with other biomolecules. If this compound is not naturally occurring, it could be synthesized in a laboratory setting or potentially produced by microorganisms through metabolic engineering, where the organisms are genetically modified to produce specific compounds.
