Exact Mass: 232.1858
Exact Mass Matches: 232.1858
Found 500 metabolites which its exact mass value is equals to given mass value 232.1858,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Aloperine
Aloperine is a natural product found in Thinicola incana, Sophora alopecuroides, and other organisms with data available. Aloperine is an alkaloid in sophora plants such as Sophora alopecuroides L, which has shown anti-cancer, anti-inflammatory and anti-virus properties[1]. Aloperine is widely used to treat patients with allergic contact dermatitis eczema and other skin inflammation in China[2]. Aloperine induces apoptosis and autophagy in HL-60 cells[1]. Aloperine is an alkaloid in sophora plants such as Sophora alopecuroides L, which has shown anti-cancer, anti-inflammatory and anti-virus properties[1]. Aloperine is widely used to treat patients with allergic contact dermatitis eczema and other skin inflammation in China[2]. Aloperine induces apoptosis and autophagy in HL-60 cells[1].
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)
(Z,Z,Z)-1,8,11,14-Heptadecatetraene
(z,z,z)-1,8,11,14-heptadecatetraene, also known as heptadeca-1,8,11,14-tetraene or aplotaxene, is a member of the class of compounds known as alkatetraenes. Alkatetraenes are acyclic hydrocarbons that contain exactly four carbon-to-carbon double bonds (z,z,z)-1,8,11,14-heptadecatetraene can be found in safflower, which makes (z,z,z)-1,8,11,14-heptadecatetraene a potential biomarker for the consumption of this food product.
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)
6-Phenylundecane
6-Phenylundecane belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one
1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1,6-heptadien-3-one is a flavouring ingredien Flavouring ingredient
3-Mercaptohexyl hexanoate
3-Mercaptohexyl hexanoate is a flavouring agent. Flavouring agent
Aplotaxene
Aplotaxene, also known as heptadeca-1,8,11,14-tetraene, is a member of the class of compounds known as alkatetraenes. Alkatetraenes are acyclic hydrocarbons that contain exactly four carbon-to-carbon double bonds. Aplotaxene can be found in burdock, which makes aplotaxene a potential biomarker for the consumption of this food product.
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
(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
Hexadeca-7c,12t,14t-trien-10-in-1-ol|hexadeca-7c,12t,14t-trien-10-yn-1-ol|Hexadecatrien-(7cis,12trans,14trans)-in-(10)-ol-(1)
(10R,11R)-dihydroxydodecanoic acid|10(R),11(R)-dihydroxydodecanoic acid
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
(-)-(3S,6R)-3,6-dihydroxy-10-methylundecanoic acid|(3S,6R)-3,6-dihydroxy-10-methylundecanoic acid
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
7-Ethyl-3,11-dimethyl-1,3,6,10-tridecatetraene|bishomofarnesene
(-)-(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.
1,2,3,4-Tetrahydro-5-methoxy-4,7-dimethyl-1-isopropylnaphthalene
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
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].
(E)-3-((1S,4R,5R)-5-Isopropenyl-4-methyl-4-vinylcyclohex-1-yl)but-2-enal
(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)-
(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.
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
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.
LID_233.1648_14.5
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); INTERNAL_ID 804
C15H20O2_2(4aH)-Naphthalenone, 5,6,7,8-tetrahydro-6-hydroxy-4a,5-dimethyl-3-(1-methylethenyl)-, (4aR,5R,6R)
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
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
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
(4aS,7R)-3-Hydroxy-7-isopropenyl-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-1(4aH)-one
4,4,5,5-TETRAMETHYL-2-(4-METHYLBENZYL)-1,3,2-DIOXABOROLANE
(3R)-3-(1,1-dimethylethyl)-1-(phenylmethyl)-Piperazine
ETHYL (S)-(-)-2-(TERT-BUTYLDIMETHYLSILYLOXY)PROPIONATE
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N,N-dimethylethanamine
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALENE-2-CARBOXYLIC ACID
(S)-N-tert-Butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
2-(2-Methylphenyl)-2-(4-Methylpiperidin-1-yl)ethanaMine
1-[1-(3-phenylpropyl)piperidin-4-yl]methanamine(SALTDATA: FREE)
2-Hepten-4-one, 6-(2-hydroxy-4-methylphenyl)-2-methyl-
2,3-Didehydrosparteine
A quinolizidine alkaloid obtained by formal dehydrogenation at the 2,3-position of sparteine.
(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
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
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.
N-(2,6-dimethylphenyl)-N2-ethenyl-N2-ethylglycinamide
[(2R)-2-Butanoyloxy-3-carboxypropyl]-trimethylazanium
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.
(S)-N-(2,6-Dimethylphenyl)-2-piperidinecarboxamide
5,6-Didehydrosparteine
A quinolizidine alkaloid obtained by formal dehydrogenation at the 5,6-position of sparteine. It is a metabolite of sparteine found in human urine and plasma.
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.
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
1-[3-(2,2,3-Trimethylcyclopent-3-enyl)cyclohex-3-enyl]ethanone
1-[4-(2,2,3-Trimethylcyclopent-3-enyl)cyclohex-3-enyl]ethanone
(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.
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.
[(2R)-3-carboxy-1,1,2-trideuterio-2-hydroxypropyl]-dimethyl-(2-oxopentyl)azanium
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].
5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane, TMS derivative
2,2-Dimethylbutanoic acid, 3-trimethylsilyloxy-, ethyl ester
5,5-Dimethyl-1,3-dioxane-2-ethanol, TMS derivative
8-Methoxy-4a,9a-dimethyl-2,3,4,4a,9,9a-hexahydro-1H-pyrido[2,3-b]indole
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].
2-methoxy-6-(3-methylbut-2-en-1-yl)-4-(prop-2-en-1-yl)phenol
2-hydroxy-3,6,6,7b-tetramethyl-1h,2h,7h,7ah-cyclobuta[e]inden-4-one
1,3,3,6-tetramethyl-5,6-dihydro-2h-indene-1,7-dicarbaldehyde
2-isopropyl-4-methylphenyl (2z)-2-methylbut-2-enoate
(1s,8r,13r)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.0⁴,¹³]trideca-4,9-dien-6-one
3,8a-dimethyl-5-methylidene-3h,3ah,4h,4ah,6h,9h,9ah-naphtho[2,3-b]furan-2-one
2-[(2s,8s,8ar)-8,8a-dimethyl-4-oxo-1,2,3,6,7,8-hexahydronaphthalen-2-yl]prop-2-enal
6,7,8,12-tetramethyl-13-oxatetracyclo[8.2.1.0³,⁸.0⁴,¹¹]tridec-5-ene
9-(prop-1-en-2-yl)-1h,5h,6h,6ah,7h,8h,9h,9ah,9bh-azuleno[4,5-c]furan-3-one
2-[(1s)-2,2-dimethyl-6-methylidenecyclohexyl]-1-(furan-3-yl)ethanone
(3as,5s,8ar,9ar)-5,8a-dimethyl-3-methylidene-3ah,5h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
(3ar,9s,9as,9bs)-9,9a-dimethyl-3-methylidene-3ah,4h,5h,7h,8h,9h,9bh-naphtho[1,2-b]furan-2-one
3,5-dimethyl-8-methylidene-3h,3ah,4h,4ah,7h,7ah,9h,9ah-azuleno[6,5-b]furan-2-one
(6as,9r,9ar,9br)-9-(prop-1-en-2-yl)-1h,5h,6h,6ah,7h,8h,9h,9ah,9bh-azuleno[4,5-c]furan-3-one
(4ar,7r)-4a-methyl-7-(3-oxoprop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2h-naphthalene-1-carbaldehyde
5-hydroxy-2-methyl-6-(4-methylphenyl)hept-2-en-4-one
4a,5-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,8h,9ah-naphtho[2,3-b]furan-2-one
9,9a-dimethyl-3-methylidene-3ah,4h,5h,7h,8h,9h,9bh-naphtho[1,2-b]furan-2-one
3,8,12-trimethyl-5,13-dioxatetracyclo[7.5.0.0²,⁶.0¹²,¹⁴]tetradeca-2(6),3-diene
(1r,4e,8s)-5-methyl-8-(prop-1-en-2-yl)-10-oxabicyclo[7.2.1]dodeca-4,9(12)-dien-11-one
2-methyl-5-(6-methylhept-5-en-2-yl)cyclohexa-2,5-diene-1,4-dione
6-ethenyl-6-methyl-3-methylidene-5-(prop-1-en-2-yl)-tetrahydro-3ah-1-benzofuran-2-one
5,5,6b-trimethyl-1h,3ah,4h,6h,6ah-cyclopropa[e]indene-1a,2-dicarbaldehyde
5,7,7,11-tetramethyltricyclo[6.3.0.0¹,⁵]undec-2-ene-4,6-dione
(1r,8r,12s,15s)-3,15-dimethyl-5,14-dioxatetracyclo[6.6.1.0²,⁶.0¹²,¹⁵]pentadeca-2(6),3-diene
(8ar)-3,8a-dimethyl-5-methylidene-4h,4ah,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
2-methyl-5-[(2s)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
(3ar,11ar)-6,10-dimethyl-3-methylidene-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-2-one
(1as,5s,7br)-5-hydroxy-3,3,5,7b-tetramethyl-1h,1ah,2h-cyclopropa[e]azulen-6-one
2-methyl-5-[(2e)-6-methylhepta-2,5-dien-2-yl]benzene-1,4-diol
(5as,7s,9as)-7,9a-dimethyl-6-methylidene-3h,4h,5h,5ah,7h,8h,9h-naphtho[1,2-c]furan-1-one
(3as,11ar)-6,10-dimethyl-3-methylidene-3ah,4h,5h,8h,11h,11ah-cyclodeca[b]furan-2-one
(1r,4ar,8as)-5,6,8a-trimethyl-4,4a,7,8-tetrahydro-1h-naphthalene-1,2-dicarbaldehyde
(3ar,4s)-7-isopropyl-1,4-dimethyl-3,3a,4,5-tetrahydroazulene-2,6-dione
(1ar,5r,7br)-3,3,5,7b-tetramethyl-1h,1ah,2h,5h,6h-cyclopropa[e]azulene-4,7-dione
(4e,8s,9s)-5-methyl-8-(prop-1-en-2-yl)-10-oxabicyclo[7.2.1]dodeca-1(12),4-dien-11-one
6,6,8-trimethyl-1h,5h,7h,8h,9h,9ah-azuleno[5,6-c]furan-3-one
6,6,8-trimethyl-3h,4ah,5h,7h,7ah,8h-azuleno[5,6-c]furan-1-one
4-[(2s,5e)-6-methyl-7-oxohept-5-en-2-yl]cyclohexa-1,3-diene-1-carbaldehyde
5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,8h,9bh-naphtho[1,2-b]furan-2-one
(1s,4r,12r)-1,3,3,12-tetramethyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-5,8-dien-7-one
(1s,2s,3s,9s,11r,13r)-1,2,3,13-tetramethyl-7,10-dioxatetracyclo[7.4.0.0²,¹¹.0⁴,⁸]trideca-4(8),5-diene
(4ar,7ar,8r)-6,6,8-trimethyl-3h,4ah,5h,7h,7ah,8h-azuleno[5,6-c]furan-1-one
4a-methyl-7-(3-oxoprop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-2h-naphthalene-1-carbaldehyde
(1s,4r)-7-hydroxy-1-isopropyl-4-methyl-1,2,3,4-tetrahydrobenzo[7]annulen-6-one
2,2,8-trimethyl-3,6,7,8-tetrahydro-1h-azulene-5,6-dicarbaldehyde
5-isopropyl-3,8-dimethyl-5,6,7,8-tetrahydronaphthalene-1,2-dione
6,9-dimethyl-3-methylidene-3ah,4h,5h,6h,6ah,7h,8h-naphtho[4a,4-b]furan-2-one
(2r,2's,3r,3'as,6'as)-2'-methyl-6'-methylidene-3-(2-methylprop-1-en-1-yl)-tetrahydro-2'h-spiro[oxirane-2,1'-pentalen]-4'-one
(1r,8r,11s,12s)-14,14-dimethyl-6-oxatetracyclo[9.2.1.0⁴,¹².0⁸,¹²]tetradec-3-en-5-one
3-[4-methyl-2-(2-methylpropyl)cyclopent-2-ene-1-carbonyl]furan
(2's,3ar,5s,7ar)-2',6-dimethyl-3-methylidene-4,7a-dihydro-3ah-spiro[1-benzofuran-5,1'-cyclopentan]-2-one
7,9a-dimethyl-6-methylidene-1h,5h,5ah,7h,8h,9h,9bh-naphtho[1,2-c]furan-3-one
3,9-dimethyl-6-methylidene-3h,3ah,4h,5h,6ah,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(1r,4s)-1-isopropyl-7-methoxy-4,6-dimethyl-1,2,3,4-tetrahydronaphthalene
(3s,3as,9as,9bs)-3,6,9-trimethyl-3h,3ah,4h,5h,7h,9ah,9bh-azuleno[4,5-b]furan-2-one
(3as,5ar,9ar,9br)-5a,9-dimethyl-3-methylidene-3ah,4h,5h,6h,7h,9ah,9bh-naphtho[1,2-b]furan-2-one
(1s,8s,13r)-1,5,10-trimethyl-7-oxatricyclo[6.4.1.0⁴,¹³]trideca-4,9-dien-6-one
(1r,4s)-7-hydroxy-4-isopropyl-1,6-dimethyl-3,4-dihydro-1h-naphthalen-2-one
(1as,3ar,8as)-1a-isopropyl-3a-methyl-2h,3h,8h-azuleno[3,3a-b]oxirene-6-carbaldehyde
(1s,8r)-4,8,11,11-tetramethyl-9,10-dioxatricyclo[6.3.2.0²,⁷]trideca-2,4,6-triene
(7as,8r,9as)-3,5,8-trimethyl-4h,6h,7h,7ah,8h,9h,9ah-azuleno[6,5-b]furan-2-one
2,6,6,9-tetramethyl-10-oxatricyclo[6.4.0.0²,⁴]dodeca-1(12),8-dien-11-one
(4ar,5s,8as)-3,4a,5-trimethyl-4h,5h,6h,7h,8ah,9h-naphtho[2,3-b]furan-8-one
1-[(5s)-2-(furan-3-yl)-5-methylcyclopent-1-en-1-yl]-3-methylbutan-1-one
2-(2,2-dimethyl-6-methylidenecyclohexyl)-1-(furan-3-yl)ethanone
(7r,8r,10s)-7-isopropyl-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3-dien-11-one
(3s,3ar,5as,9as,9bs)-3,5a,9-trimethyl-3h,3ah,4h,5h,9ah,9bh-naphtho[1,2-b]furan-2-one
2',6-dimethyl-3-methylidene-4,7a-dihydro-3ah-spiro[1-benzofuran-7,1'-cyclopentan]-2-one
(3as,8as,9as)-5,8a-dimethyl-3-methylidene-3ah,4h,6h,7h,8h,9h,9ah-naphtho[2,3-b]furan-2-one
3-[(1z)-2-(1-acetylcyclopropyl)prop-1-en-1-yl]-5,5-dimethylcyclopent-2-en-1-one
6,10-dimethyl-3-methylidene-3ah,4h,5h,6h,11h,11ah-cyclodeca[b]furan-2-one
(5r,8r)-3-hydroxy-8-isopropyl-5-methyl-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
13-dihydrodehydrocostus lactone
{"Ingredient_id": "HBIN001172","Ingredient_name": "13-dihydrodehydrocostus lactone","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39600","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2,4,4,6-Tetramethyl-6-phenyl heptane
{"Ingredient_id": "HBIN004208","Ingredient_name": "2,4,4,6-Tetramethyl-6-phenyl heptane","Alias": "NA","Ingredient_formula": "C17H28","Ingredient_Smile": "CC(C)CC(C)(C)CC(C)(C)C1=CC=CC=C1","Ingredient_weight": "232.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42721","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "576734","DrugBank_id": "NA"}
2-hydroxyfuranodiene
{"Ingredient_id": "HBIN005801","Ingredient_name": "2-hydroxyfuranodiene","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1=CCC2=C(CC(=CC(C1)O)C)OC=C2C","Ingredient_weight": "232.32 g/mol","OB_score": "30.25380477","CAS_id": "NA","SymMap_id": "SMIT03651","TCMID_id": "NA","TCMSP_id": "MOL001197","TCM_ID_id": "NA","PubChem_id": "91748792","DrugBank_id": "NA"}
3,5,11(13)-trieneudesma-12-oicacid
{"Ingredient_id": "HBIN007524","Ingredient_name": "3,5,11(13)-trieneudesma-12-oicacid","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1=CCCC2(C1=CC(CC2)C(=C)C(=O)O)C","Ingredient_weight": "232.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "21611","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "10353893","DrugBank_id": "NA"}
3β-hydroxyatractylone
{"Ingredient_id": "HBIN008239","Ingredient_name": "3\u03b2-hydroxyatractylone","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1=COC2=C1CC3C(=C)C(CCC3(C2)C)O","Ingredient_weight": "232.32","OB_score": "21.16508417","CAS_id": "61206-11-9","SymMap_id": "SMIT00391","TCMID_id": "9806","TCMSP_id": "MOL000167","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4,11(13)-amorphadien-12-oic acid; 6,7-didehydro
{"Ingredient_id": "HBIN009801","Ingredient_name": "4,11(13)-amorphadien-12-oic acid; 6,7-didehydro","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7948","PubChem_id": "NA","DrugBank_id": "NA"}
4(15),7(11)-eremophiladien-12,8-olide; (8β,10α)-form
{"Ingredient_id": "HBIN009824","Ingredient_name": "4(15),7(11)-eremophiladien-12,8-olide; (8\u03b2,10\u03b1)-form","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "NA","Ingredient_weight": "232.32","OB_score": "NA","CAS_id": "248255-51-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7979","PubChem_id": "NA","DrugBank_id": "NA"}
5-epidilatanolide b
{"Ingredient_id": "HBIN011531","Ingredient_name": "5-epidilatanolide b","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1CCC=C2C1(C3C(CC2)C(=C)C(=O)O3)C","Ingredient_weight": "232.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6894","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5317071","DrugBank_id": "NA"}
5-hydroxy-lactara-6,8-dien-13-oicacid γ-lactone
{"Ingredient_id": "HBIN011693","Ingredient_name": "5-hydroxy-lactara-6,8-dien-13-oicacid \u03b3-lactone","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10307","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
alantolacetone
{"Ingredient_id": "HBIN015036","Ingredient_name": "alantolacetone","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "25811","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aloperine
{"Ingredient_id": "HBIN015319","Ingredient_name": "aloperine","Alias": "NA","Ingredient_formula": "C15H24N2","Ingredient_Smile": "C1CCN2CC3CC(C2C1)C=C4C3NCCC4","Ingredient_weight": "232.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "983","TCMSP_id": "NA","TCM_ID_id": "6984;17467","PubChem_id": "139055730","DrugBank_id": "NA"}
annulide
{"Ingredient_id": "HBIN016248","Ingredient_name": "annulide","Alias": "NA","Ingredient_formula": "C15H20O2","Ingredient_Smile": "CC1CCC2C3C1CC=C(C3OC(=O)C2=C)C","Ingredient_weight": "232.32","OB_score": "52.95049202","CAS_id": "103739-95-3","SymMap_id": "SMIT08837","TCMID_id": "1341","TCMSP_id": "MOL007390","TCM_ID_id": "6751","PubChem_id": "NA","DrugBank_id": "NA"}
