Exact Mass: 246.113
Exact Mass Matches: 246.113
Found 500 metabolites which its exact mass value is equals to given mass value 246.113,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Elliptisine
Ellipticine is a organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. It has a role as an antineoplastic agent and a plant metabolite. It is an organic heterotetracyclic compound, an organonitrogen heterocyclic compound, a polycyclic heteroarene and an indole alkaloid. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
8-Epixanthatin
Xanthatin is a sesquiterpene lactone. Xanthatin is a natural product found in Xanthium spinosum, Dittrichia graveolens, and other organisms with data available. 8-Epixanthatin is found in fats and oils. 8-Epixanthatin is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). 8-Epixanthatin is found in fats and oils. D000970 - Antineoplastic Agents
Santonin
Alpha-santonin is a santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. It has a role as a plant metabolite. It is a botanical anti-fungal agent and a santonin. Santonin is a natural product found in Artemisia spicigera, Artemisia diffusa, and other organisms with data available. Anthelmintic isolated from the dried unexpanded flower heads of Artemisia maritima and other species of Artemisia found principally in Russian and Chinese Turkestan and the Southern Ural region. (From Merck, 11th ed.) See also: ... View More ... A santonin that is 3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione substituted by methyl groups at positions 3, 5a and 9. D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent ADP-ribose 1"-2" cyclic phosphate is a cyclic phosphate nucleotide that arises from tRNA processing. In eukaryotic cells, pre-tRNAs spliced by a pathway that produces a 3,5-phosphodiester, 2-phosphomonoester linkage contain a 2-phosphate group adjacent to the tRNA anticodon. This 2-phosphate is transferred to NAD to give adenosine diphosphate (ADP)-ribose 1", 2"-cyclic phosphate (Appr>p), which is subsequently metabolized to ADP-ribose 1-phosphate (Appr-1p). The latter reaction is catalyzed by a cyclic phosphodiesterase (CPDase). (PMID: 9148938). One molecule of ADP-ribose 1",2"-cyclic phosphate (Appr>p) is formed during each of the approximately 500 000 tRNA splicing events. [HMDB] Constituent of Physalis peruviana (Cape gooseberry). Withaperuvin F is found in fruits. Alkaloid found on the leaf surfaces of Brassica oleracea cv. botrytis (cauliflower) [DFC]. Cabbage identification factor 1 is found in brassicas. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 2267 INTERNAL_ID 2267; CONFIDENCE Reference Standard (Level 1) relative retention time with respect to 9-anthracene Carboxylic Acid is 0.918 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.917 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.915 [Raw Data] CB081_Santonin_pos_30eV_CB000033.txt [Raw Data] CB081_Santonin_pos_10eV_CB000033.txt [Raw Data] CB081_Santonin_pos_40eV_CB000033.txt [Raw Data] CB081_Santonin_pos_20eV_CB000033.txt [Raw Data] CB081_Santonin_pos_50eV_CB000033.txt Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1]. Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1].
N-Acetyltryptophan
N-Acetyl-L-tryptophan or N-Acetyltryptophan, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetyltryptophan can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetyltryptophan is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-tryptophan. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\\\% of all human proteins and 68\\\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT’s (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetyltryptophan can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free tryptophan can also occur. Many N-acetylamino acids, including N-acetyltryptophan are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-Acetyltryptophan has also been used as a protein stabilizer. It prevents protein molecules from oxidative degradation by scavenging oxygen dissolved in protein solutions (PMID: 21903216 ). N-Acetyltryptophan has been identified as a catabolite of tryptophan generated by the gut microbiota. After absorption through the intestinal epithelium, tryptophan catabolites enter the bloodstream and are later excreted in the urine (PMID: 28916042). N-Acetyltryptophan is an inhibitor of cytochrome c release and an antagonist of the neurokinin 1 receptor (NK-1R). These inhibitory effects are thought have a useful role in neuroprotection. For instance, in mouse models of amyotrophic lateral sclerosis (ALS) the administration of N-Acetyltryptophan has been shown delay disease onset, extend survival, and ameliorate deterioration in motor performance ALS transgenic mice (PMID: 25986728). N-acetyltryptophan has been shown to significantly reduce blood-brain barrier permeability and improve functional outcome in rat models of traumatic brain injury (PMID: 29256408). N-Acetyltryptophan has also been shown to have a role in preventing hepatic ischemia-reperfusion injury. This is thought to occur through de-activation of the RIP2/caspase/IL-1beta signaling pathway (PMID: 31184936). D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Ac-DL-Trp-OH is an endogenous metabolite. Ac-DL-Trp-OH is an endogenous metabolite. N-Acetyl-L-tryptophan is an endogenous metabolite.
Methylphenobarbital
Methylphenobarbital is only found in individuals that have used or taken this drug. It is a barbiturate that is metabolized to phenobarbital. It has been used for similar purposes, especially in epilepsy, but there is no evidence mephobarbital offers any advantage over phenobarbital. [PubChem]Methylphenobarbital binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
ACHILLIN
A sesquiterpene lactone that is (3R,3aS,9aS,9bS)-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione carrying three additional methyl substituents at positions 3, 6 and 9. relative retention time with respect to 9-anthracene Carboxylic Acid is 0.984
aromaticin
A sesquiterpene lactone that is 3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione substituted by methyl groups at positions 4a and 8 and a methylidene group at position 3. Isolated from the aerial parts of Inula hupehensis, it exhibits anti-inflammatory activity.
Zaluzanin C
A sesquiterpene lactone that is decahydroazuleno[4,5-b]furan-2(3H)-one substituted by methylidene groups at positions 3, 6 and 9 and a hydroxy group at position 8.
Beta-Santonin
2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose
2,4-diacetamido-2,4,6-trideoxy-beta-L-gulopyranose
Ellipticine
Ellipticine is a organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. It has a role as an antineoplastic agent and a plant metabolite. It is an organic heterotetracyclic compound, an organonitrogen heterocyclic compound, a polycyclic heteroarene and an indole alkaloid. Ellipticine is a potent antineoplastic agent. Ellipticine is a natural product found in Asparagus cochinchinensis, Aspergillus sclerotiorum, and other organisms with data available. A organic heterotetracyclic compound that is pyrido[4,3-b]carbazole carrying two methyl substituents at positions 5 and 11. Ellipticine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=519-23-3 (retrieved 2024-06-29) (CAS RN: 519-23-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
Loxoprofen
As most NSAIDs, loxoprofen is a non-selective cyclooxygenase inhibitor, and works by reducing the synthesis of prostaglandins from arachidonic acid. Loxoprofen (INN) is a non-steroidal anti-inflammatory drug in the propionic acid derivatives group, which also includes ibuprofen and naproxen among others. It is marketed in Brazil, Mexico and Japan by Sankyo as its sodium salt, loxoprofen sodium, under the trade name Loxonin, Argentina as Oxeno and in India as Loxomac. It is available in these countries for oral administration, and a transdermal preparation was approved for sale in Japan on January 2006. Loxoprofen is a prodrug. It is quickly converted to its active trans-alcohol metabolite following oral administration, and reaches its peak plasma concentration within 30 to 50 minutes. M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AA - Antiinflammatory preparations, non-steroids for topical use C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics C471 - Enzyme Inhibitor > C1323 - Cyclooxygenase Inhibitor D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
Gamma-Glutamylvaline
gamma-Glutamylvaline is a dipeptide composed of gamma-glutamate and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. gamma-Glutamylvaline belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. It is found in urine (PMID: 3782411). γ-Glutamylvaline is an activator of CaSR with anti-inflammatory activity. γ-Glutamylvaline inhibits TNF-α-induced proinflammatory cytokine production and increases Wnt5a expression. γ-Glutamylvaline activates calcium-sensing receptor pathways in adipocytes of 3T3-L1 mice and prevents low-grade chronic inflammation[1].
Isoleucyl-Aspartate
Isoleucyl-Aspartate is a dipeptide composed of isoleucine and aspartate. 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.
Lacinilene C
Lacinilene C is found in fats and oils. Lacinilene C is isolated from Gossypium hirsutum (cotton) bracts. Isolated from Gossypium hirsutum (cotton) bracts. Lacinilene C is found in fats and oils.
Ipomeabisfuran
Isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata. Ipomeabisfuran is found in root vegetables and potato. Ipomeabisfuran is found in potato. Ipomeabisfuran is isolated from Ipomoea batatas (sweet potato) infected with Ceratocystis fimbriata.
3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate
Methyl (2E,4Z,6E,8E,10E)-4,8-dimethyl-12-oxo-2,4,6,8,10-dodecapentaenoate is a constituent of the seeds of Bixa orellana (annatto) Constituent of the seeds of Bixa orellana (annatto).
Annuolide A
Annuolide A is found in fats and oils. Annuolide A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Annuolide A is found in fats and oils.
2-Oxo-5,11(13)-eudesmadien-12,8-olide
2-Oxo-5,11(13)-eudesmadien-12,8-olide is found in herbs and spices. 2-Oxo-5,11(13)-eudesmadien-12,8-olide is a constituent of Inula helenium (elecampane) Constituent of Inula helenium (elecampane). 2-Oxo-5,11(13)-eudesmadien-12,8-olide is found in herbs and spices.
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran
5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran is found in beverages. 5-Hydroxy-2-(1-hydroxy-5-methyl-4-hexenyl)benzofuran is a constituent of a fungus obtained from wintergreen (Gaultheria procumbens)
Nigellicine
Nigellicine is found in herbs and spices. Nigellicine is an alkaloid from the seeds of Nigella sativa (black cumin
Glandulone A
Glandulone A is found in fats and oils. Glandulone A is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Glandulone A is found in fats and oils.
Glutamylvaline
Glutamylvaline is a dipeptide composed of glutamate and valine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylvaline 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. It is found in urine (PMID: 3782411).
Annuolide C
Annuolide C is found in fats and oils. Annuolide C is a constituent of Helianthus annuus (sunflower). Constituent of Helianthus annuus (sunflower). Annuolide C is found in fats and oils.
Aspartyl-Isoleucine
Aspartyl-Isoleucine is a dipeptide composed of aspartate 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.
Valylglutamic acid
Valylglutamic acid is a dipeptide composed of valine and glutamic acid. 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.
Prolyl-Methionine
Prolyl-Methionine is a dipeptide composed of proline and methionine. 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.
Enokipodin B
Enokipodin B is found in mushrooms. Enokipodin B is a metabolite of Flammulina velutipes (velvet shank Metabolite of Flammulina velutipes (velvet shank). Enokipodin B is found in mushrooms.
L-beta-aspartyl-L-leucine
L-beta-aspartyl-l-leucine is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha Amino Acids and Derivatives. These are compounds containing an alpha amino acid which bears an acyl group at his terminal nitrogen atom. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Aspartyl-Leucine
Aspartyl-Leucine is a dipeptide composed of aspartate 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.
Leucyl-Aspartate
Leucyl-Aspartate is a dipeptide composed of leucine and aspartate. 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.
Methionyl-Proline
Methionyl-Proline is a dipeptide composed of methionine and proline. 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.
cyclic 6-Hydroxymelatonin
cyclic 6-Hydroxymelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
3,3'-Diindolylmethane
C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist. 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.
3,12-Dimethyl-7-methylidene-2,9-dioxatetracyclo[9.3.0.01,3.06,10]tetradec-12-en-8-one
(4R,5S)-4-Hydroxy-3,4,5-trimethyl-5,6,7,8-tetrahydronaphtho[2,3-b]furan-9(4H)-one
Descyclopropyl Abacavir
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
2-(1H-Indol-2-ylmethyl)-1H-indole
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
Sesquiterpenes
Sesquiterpenes belongs to eudesmanolides, secoeudesmanolides, and derivatives class of compounds. Those are terpenoids with a structure based on the eudesmanolide (a 3,5a,9-trimethyl-naphtho[1,2-b]furan-2-one derivative) or secoeudesmanolide (a 3,6-dimethyl-5-(pentan-2-yl)-1-benzofuran-2-one derivative) skeleton. Sesquiterpenes is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sesquiterpenes is a bitter tasting compound found in ceylon cinnamon, pepper (spice), and potato, which makes sesquiterpenes a potential biomarker for the consumption of these food products. Sesquiterpenes are a class of terpenes that consist of three isoprene units and have the molecular formula C15H24. Like monoterpenes, sesquiterpenes may be acyclic or contain rings, including many unique combinations. Biochemical modifications such as oxidation or rearrangement produce the related sesquiterpenoids . Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1]. Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1].
Arglabin
Arglabin is an organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers. It has a role as an antineoplastic agent and a metabolite. It is an organic heterotetracyclic compound, a gamma-lactone, an epoxide and a sesquiterpene lactone. Arglabin is a natural product found in Pentzia eenii and Artemisia myriantha with data available. An organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-dimethyl-1,3a,4,5,6,7-hexahydroazulen-5-yl group in which the double bond in the 7-membered ring has been epoxidised and in which the hydroxy group and the carboxy group have undergone formal condensation to give the corresponding gamma-lactone. It is found in Artemisia glabella. Arglabin-DMA HCl, the hydrochloride salt of the adduct resulting from the conjugate addition of dimethylamine to the ene-lactone moiety, has been successfully used in Khazakhstan for the treatment of breast, colon, ovarian and lung cancers.
9-Oxotournefortiolide
Brachylaenolide
[3aR-(3aalpha,4aalpha,5beta,8abeta,9aalpha)]-3a,4a,5,8a,9,9a-Hexahydro-5,8a-dimethyl-3-methylenenaphtho[2,3-b]furan-2,6(3H,4H)-dione
[1aR-(1aalpha,4beta,4abeta,9aS*)]-1a,2,4,4a-tetrahydro-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-5(9H)-one
(E,E)-5-(2,6-Dimethyl-1,5,7-octatrienyl)-3-furancarboxylic acid
[3aR-(3aalpha,4aalpha,6beta,8abeta,9aalpha)]-3a,4,4a,5,6,8a,9,9a-Octahydro-6-hydroxy-8a-methyl-3,5-bis(methylene)naphtho[2,3-b]furan-2(3H)-one
(1S,9S,10R,12S,13R)-13-(hydroxymethyl)-4,9-dimethyl-6-oxatetracyclo[7.4.0.0^{3,7.0^{10,12]trideca-3,7-dien-5-one
Smyrnicordiolide
[3aS-(3aalpha,6aalpha,9beta,9aalpha,9bbeta)]-3a,4,5,6,6a,9,9a,9b-Octahydro-9-hydroxy-9-methyl-3,6-bis(methylene)-azuleno[4,5-b]furan-2(3H)-one
Pinnatifidin (Helenium)
[2alpha(E),3alpha(E)]-3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
[S-(E,E)]-5,8,9,11a-Tetrahydro-3,6,10-trimethylcyclodeca[b]furan-2,4-dione
Hydroxylindestrenolide
Ursialpinolide
3-Oxodiplophyllin
(Z)-3-[4-[(3-Methyl-2-butenyl)oxy]phenyl]-2-propenoic acid methyl ester
6beta-Hydroxy-9,10-didehydrofuranoeremophilan-1-one
Chloranthalactone D
[3aR-(3aalpha,4abeta,5beta,9aalpha)]-3a,4a,5,7,8,9a-Hexahydro-4a,5-dimethyl-3-methylene-naphtho[2,3-b]furan-2,6(3H,4H)-dione
[3R-(3alpha,3aalpha,7abeta,8alpha,9aalpha)]-3,3a,7a,8,9,9a-Hexahydro-3,5,8-trimethyl-azuleno[6,5-b]furan-2,7-dione
[3aR-(3aalpha,4aalpha,6beta,7aalpha,9abeta)]-Decahydro-6-hydroxy-3,5,8-tris(methylene)-azuleno[6,5-b]furan-2(3H)-one
[2R-(2alpha,4aalpha,8abeta)]-1,2,3,4,4a,7,8,8a-Octahydro-4a-methyl-alpha,8-bis(methylene)-7-oxo-2-naphthaleneacetic acid
Alloisosantonin
Dihydroisolinderalactone
[3aS-(3aalpha,4alpha,4aalpha,5aalpha,6aalpha,6bbeta,7abeta)]-Decahydro-4-hydroxy-6b-methyl-3,5-bis(methylene)cycloprop[2,3]indeno[5,6-b]furan-2(3H)-one
3-Oxoxanthanodiene
[4S-(4alpha,4aalpha,5alpha)]-4a,5,6,7-Tetrahydro-4-hydroxy-3,4a,5-trimethylnaphtho[2,3-b]furan-9(4H)-one
5alpha-Hydroxy-eudesma-4(15),7(11),8(9)-trien-8,12-olide
(1E,5Z)-2-(2,6-Dimethylocta-1,5,7-trienyl)furan-4-carboxylic acid
11,14-Cyclo-14-hydroxy-1,3,5,7-bisabolatetraen-15-oic acid
Semenen
Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1]. Santonin is an active principle of the plant Artemisia cina, which is formely used to treat worms[1].
[2alpha(Z),3alpha(E)]- 3-Methyl-4-[tetrahydro-3-(3-methyl-1,3-butadienyl)-4-methylene-5-oxo-2-furanyl]-2-butenal
[2aR-(2aalpha,5aalpha,9balpha,9calpha)]-2a,3,4,5,5a,6,9b,9c-Octahydro-9,9c-dimethyl-2H-naphtho[1,8-bc:3,2-b]difuran-2-one
4alpha-Hydroxy-1alpha,5alphaH-guaia-2,10(14),11(13)-trien-12,6alpha-olide
ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate
1,4a-Dimethyl-7-methylene-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[2,3:8,8a]azuleno[4,5-b]furan-8(4ah)-one #
8a-Methyl-3,5-bismethylene-6-hydroxy-3a,4,4a,5,6,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
rel-(1S,2S)-epoxy-(4R)-furanogermacr-10(14)-en-6-one|rel-(1S,2S,4R)-epoxyfuranogermacr-10(15)-en-6-one|rel-1S,2S-epoxy-4R-furanogermacr-10(15)-en-6-one
3-Oxo-5(10),6-pinguisadien-11,6-olide|3-oxo-pinguis-5(10),6-diene-11,6-olide
11alpha,13-dihydroyomogin|3-oxo-11alpha(H)-eudesm-1,4-dien-8beta,13-olide|3-oxo-7,8,11alphaH-eudesma-1,4-dien-12,8-olide
3,3-Diindolylmethane
C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist. 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.
(+)-tuberiferin|(+)-tuberiferine|(+)-tuberifinin|3-oxoeudesma-1,11(13)-dieno-12,6alpha-lactone|5alpha,6beta,7alphaH-3-oxoeudesma-1(2),11(13)-dien-12,6-olide|eudesmanolide tuberiferin|Tuberiferine|tubiferi
(4alpha,5beta,6beta,10beta)-3-Oxo-1,7(11)-eudesmadien-12,6-olide
3-oxo-4,5alphaH,8betaH-eudesma-1,7(11)-dien-8,12-olide
2-hydroxy-4aalphaH-3,5alpha,8abeta-trimethyl-4,4a,8a,9-tetrhydronaphtho[2,3-b]furan-8(5H)-one
1alphaH,5alphaH,6betaH,7alphaH,8alpha-hydroxyguai-4(15),10(14),11(13)-trien-6,12-olide|8alpha-hydroxydehydrocostus lactone|deacylsubexpinnatin|dehydrocostus lactone
(4E)-1-Oxogermacra-4,10(14),11-trien-12,8alpha-olid
9a-Hydroxy-3,8a-dimethyl-5-methylene4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one
(6alpha,11alphaH)-1-Oxo-2,4-eudesmadien-12,6-olide|1-Oxoeudesma-2,4-dien-11alphaH-12,6alpha-olide
(1(10)E)-5-Oxogermacra-1(10),4(15),11-trien-12,8alpha-olid|<1(10)E>-5-Oxogermacra-1(10),4(15),11-trien-12,8alpha-olid
3,5-Dimethyl-6-[(5-hydroxy-5-methyltetrahydrofuran)-2-yl]benzofuran
6alpha-hydroxyguaia-1(10),4(15),11(13)-trien-8alpha,12-olide
methyl 1-hydroxy-2,6-dimethoxy-4-oxocyclohexanacetate
(E)-3-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]acrylic acid|Drupaninmonomethylether
8-oxo-7betaH-germacra-trans,trans-1(10),4,11-trien-trans-6,12-olide
3-Oxo-8alpha-eremophila-1,7-dien-8,12-olid|3-oxoeremophila-1,7(11)-dien-12,8beta-olide
(11beta)-8,11-dihydroxycadina-6,8,10-trien-12-oic acid gamma-lactone|(1S,8S)-6,7,8,9-tetrahydro-1-hydroxy-1,5,8-trimethylnaphtho[2,1-b]furan-2-(1H)-one
(-)-(1R,3S)-7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid|brunnein B
(Z)-2-(2-hydroxy-4-methylphenyl)allyl 2-methylbut-2-enoate|9-O-angeloyl-8,10-dehydrothymol
Caerulomycin G
A pyridine alkaloid that is 2,2-bipyridine substituted at position 6 by a hydroxymethyl group and at positions 3 and 4 by methoxy groups respectively. Isolated from the marine-derived actinomycete Actinoalloteichus cyanogriseus, it exhibits antineoplastic activity.
(4aS,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-5-methylene-4a,5,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(4H)-one|linderolide G|sarcandralactone E
(3S,3aR,4aS,8aR,9aR)-3a,4a,5,8a,9,9a-hexahydro-3,8a-dimethyl-5-methylidenenaphtho[2,3-b]furan-2,8(3H,4H)-dione|1-oxo-11alphaH-eudesma-2,4(14)-dien-12,8beta-olide
(4aR,6-S,8aS,9aS)-6-hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one|(4aR,6S,8aS,9aS)-6-hydroxy-3,8a-dimethyl-5-methylene-4,4a,5,6,9,9a-hexahydronaphtho[2,3-b]furan-2(8aH)-one|linderolide E
(+/-)-(2E)-3-[4-methoxy-3-(2,5-dihydro-4-methylfuran-2-yl)phenyl]prop-2-en-1-ol|pteleifolin C
1-hydroxy-10(15)-methylenepodoandin|7alpha-hydroxy-3,5-dimthyl-8-methylene-4alpha,7,7alpha,8,9,9alpha-hexahydroazuleno[6,5-beta]furan-2(4H)-one
3-{3-methoxy-4-[(3-methylbut-2-en-1-yl)oxy]phenyl}prop-2-en-1-one
(4S)-illicinone A|(S)-Illicinone A|4S-(+)-illicinone-A
7,10-epoxy-hedyosminolide|7,10-epoxyhedyosminolide|7alpha,10alpha-epoxy-1alpha(H),5alpha(H)-guaia-3,11(13)-dien-8alpha,12-olide
2-Oxo-1(5)-guajen-cis-8,12-olid|2-oxo-Guai-1(5)-en-12,8alpha-olide
6-allyl-4-(3-methylbut-2-enyl)-1,3-benzodioxol-5-ol
(E)-dupracine methyl ester|methyl (E)-3-(2,2-dimethylchroman-6-yl)-2-propenoate
1-oxo-eudesm-2,4(15)-dien-5alpha,6beta,7alpha,11betaH-12,6-olide|Anhydrovulgarin
1,2,5-trimethoxy-3-methyl-4-(3-methylbut-3-en-1-yn-1-yl)benzene|1,2,5-trimethoxy-3-methyl-4-(3-methylbut-3-en-1-ynyl)benzene|antrocamphin A|antrocamphine A
2,2-Dimethyl-5,7-dimethoxy-8-ethenyl-2H-1-benzopyran
6-allyl-6-(3-methylbut-2-enyl)-1,3-benzodioxol-5-one
(7S,8R,12R)-4,8-dihydroxy-1,3,5,10-tetraen-8,12-cyclobisabolan-9-one|cycloabiesesquine A|cycloabiesesquiterane A
3,5,alpha-Trimethyl-7,8-dihydro-6H-furo[3,2-h][1]benzopyran-8-methanol
2-(1H-indol-2-ylmethyl)-1H-indole
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
9-mercaptodethiobiotin
A member of the class of imidazolidinones that is dethiobiotin carrying a mercapto substituent at position 9. An intermediate in the biosynthesis of biotin.
3,3\\%27-Diindolylmethane
3,3-diindolylmethane is a member of indoles. It has a role as an antineoplastic agent and a P450 inhibitor. Diindolylmethane has been used in trials studying the prevention and treatment of SLE, Prostate Cancer, Cervical Dysplasia, Stage I Prostate Cancer, and Stage II Prostate Cancer, among others. 3,3-Diindolylmethane is a natural product found in Arundo donax, Brassica, and other organisms with data available. Diindolylmethane is a phytonutrient and plant indole found in cruciferous vegetables including broccoli, Brussels sprouts, cabbage, cauliflower and kale, with potential anti-androgenic and antineoplastic activities. As a dimer of indole-3-carbinol, diindolylmethane (DIM) promotes beneficial estrogen metabolism in both sexes by reducing the levels of 16-hydroxy estrogen metabolites and increasing the formation of 2-hydroxy estrogen metabolites, resulting in increased antioxidant activity. Although this agent induces apoptosis in tumor cells in vitro, the exact mechanism by which DIM exhibits its antineoplastic activity in vivo is unknown. C1892 - Chemopreventive Agent > C54630 - Phase II Enzymes Inducer D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist. 3,3'-Diindolylmethane is a strong, pure androgen receptor (AR) antagonist.
gamma-Glutamylvaline
γ-Glutamylvaline is an activator of CaSR with anti-inflammatory activity. γ-Glutamylvaline inhibits TNF-α-induced proinflammatory cytokine production and increases Wnt5a expression. γ-Glutamylvaline activates calcium-sensing receptor pathways in adipocytes of 3T3-L1 mice and prevents low-grade chronic inflammation[1].
2-acetamido-3-(1H-indol-3-yl)propanoic acid
PRI_247.1079_16.2
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 1602 INTERNAL_ID 1602; CONFIDENCE Tentative identification: most likely structure (Level 3)
N-Acetyltryptophan
An N-acetylamino acid that is the N-acetyl derivative of tryptophan. Ac-DL-Trp-OH is an endogenous metabolite. Ac-DL-Trp-OH is an endogenous metabolite. N-Acetyl-L-tryptophan is an endogenous metabolite.
gamma-l-glutamyl-l-valine
γ-Glutamylvaline is an activator of CaSR with anti-inflammatory activity. γ-Glutamylvaline inhibits TNF-α-induced proinflammatory cytokine production and increases Wnt5a expression. γ-Glutamylvaline activates calcium-sensing receptor pathways in adipocytes of 3T3-L1 mice and prevents low-grade chronic inflammation[1].
N-Acetyl-D-tryptophan
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors
N-Acetyl-DL-tryptophan
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors Ac-DL-Trp-OH is an endogenous metabolite. Ac-DL-Trp-OH is an endogenous metabolite.
Ac-Try
N-Acetyl-L-tryptophan is an endogenous metabolite.
Leu-asp
A dipeptide formed from L-leucine and L-aspartic acid residues.
Met-pro
A dipeptide formed from L-methionine and L-proline residues.
Nigellicine
Glu-val
A glutamyl-L-amino acid that is the N-(L-alpha-glutamyl) derivative of L-leucine.
4-benzyloxycarbonyl-1-methyl-3,4-dihydropyrazin-2(1H)-one
tert-butyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
Boc-D-Glutamine
5-Amino-2-((tert-butoxycarbonyl)amino)-5-oxopentanoic acid is a glutamine derivative[1].
(S)-5-AMINO-2-(TERT-BUTOXYCARBONYLAMINO)-5-OXOPENTANOIC ACID
tert-Butyl 3-formyl-1H-pyrrolo[3,2-c]pyridine-1-carboxylate
1,1,2-Ethanetricarboxylic Acid, 2-(1,1-Dimethylethyl)1,1-Dimethyl Ester
METHYL 3-METHOXY-4-(4-METHYL-1-IMIDAZOLYL)BENZOATE
6-METHOXY-1 2 3 4-TETRAHYDRO-9H-PYRIDO-&
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
4-o-acetyl-2,5-anhydro-1,3-isopropylidene-d-glucitol
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[c][1,2,5]oxadiazole
3-(4-METHOXYPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
(4R)-N-ACETYL)-4-BENZYL-2-OXAZOLIDINONE,99
ETHYL 3-METHYL-5-OXO-1-PHENYL-4,5-DIHYDRO-1H-PYRAZOLE-4-CARBOXYLATE
5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxylic acid
1-(4-METHOXY-PHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID HYDRAZIDE
1H-INDAZOLE-1-CARBOXYLIC ACID,6-FORMYL-,1,1-DIMETHYLETHYL ESTER
6-amino-5-(benzylamino)-1-methylpyrimidine-2,4-dione
6-Carboxy-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, 2-(6-Carboxy-1H-indazol-1-yl)tetrahydro-2H-pyran
N-ETHOXYCARBONYLMETHYL-6-METHOXYQUINOLINIUM BROMIDE
1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-INDAZOLE-5-CARBOXYLIC ACID
1-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepane
Methyl 4-(5-Isopropyl-1,2,4-oxadiazol-3-yl)benzoate
1H-1,2,3-Triazole-4-carboxylicacid, 5-amino-1-(phenylmethyl)-, ethyl ester
1-(piperidine-4-carbonyl)piperidin-4-one hydrochloride
4-Carboxy-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, 2-(4-Carboxy-1H-indazol-1-yl)tetrahydro-2H-pyran
4-(2,5-diMethylphenyl)-5-propyl-1,3-thiazol-2-aMine
3-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-propionic acid
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine(SALTDATA: FREE)
Antineoplaston A10
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer Antineoplaston A10, a naturally occurring substance in human body, is a Ras inhibitor potentially for the treatment of glioma, lymphoma, astrocytoma and breast cancer[1]. Antineoplaston A10, a naturally occurring substance in human body, is a Ras inhibitor potentially for the treatment of glioma, lymphoma, astrocytoma and breast cancer[1].
Ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
N-[5-(3,4-dimethylanilino)-1H-1,2,4-triazol-3-yl]-N-hydroxymethanimidamide
4-Hydroxy-1-(4-methylphenyl)-3-pyrazolecarboxylic acid ethyl ester
Ethyl 6,8-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 6-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-propanoic acid, 4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 9-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 7-methyl-4-oxo-, ethyl ester
4H-Pyrido[1,2-a]pyrimidine-3-acetic acid, 8-methyl-4-oxo-, ethyl ester
Elliptisine
D000970 - Antineoplastic Agents > D000972 - Antineoplastic Agents, Phytogenic > D004611 - Ellipticines D004791 - Enzyme Inhibitors > D014475 - Uncoupling Agents Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities. Ellipticine (NSC 71795) is a potent antineoplastic agent; inhibits DNA topoisomerase II activities.
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
N-[2-(3-methylphenoxy)ethyl]-1H-1,2,4-triazole-5-carboxamide
5-Amino-4-oxo-1,2,4,5,6,7-hexahydro-azepino[3,2,1-HI]indole-2-carboxylic acid
2-(4-ethylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
1-[5-Amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-1-propanone
1-(3,4-Dihydroxyphenyl)-2-(2-ethyl-1-imidazolyl)ethanone
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzoic acid
4-Methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one, TMS derivative
Mephobarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AA - Barbiturates and derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate D018377 - Neurotransmitter Agents > D018682 - GABA Agents > D018757 - GABA Modulators D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
Acetyl-L-tryptophan
A N-acetyl-L-amino acid that is the N-acetyl derivative of L-tryptophan. D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors N-Acetyl-L-tryptophan is an endogenous metabolite.
N-(indole-3-acetyl)-L-alanine
An N-acyl-L-amino acid that is the N-indole-3-acetyl derivative of L-alanine.
gamma-Glu-val
A glutamyl-L-amino acid that is the N-(L-gamma-glutamyl) derivative of L-leucine.
6-amino-5-(methylamino)-1-(phenylmethyl)pyrimidine-2,4-dione
alpha-Asp-Ile
A dipeptide that is the N-(L-alpha-aspartyl) derivative of L-isoleucine.
