Exact Mass: 246.1045
Exact Mass Matches: 246.1045
Found 500 metabolites which its exact mass value is equals to given mass value 246.1045,
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.
Marmesin
Marmesin is a member of psoralens and a tertiary alcohol. 2-(2-Hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one is a natural product found in Zanthoxylum beecheyanum, Zanthoxylum arnottianum, and other organisms with data available. Nodakenetin is found in wild celery. Nodakenetin is a constituent of Angelica species Constituent of Angelica subspecies Nodakenetin is found in wild celery. (+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin. Marmesin is a natural product found in Coronilla scorpioides, Clausena dunniana, and other organisms with data available. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. (+)-Marmesin. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=13849-08-6 (retrieved 2024-09-04) (CAS RN: 13849-08-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Aegelinol
Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent, an analgesic and a metabolite. It is an organic heterotricyclic compound, a delta-lactone, a secondary alcohol and a cyclic ether. Decursinol is a natural product found in Smyrniopsis aucheri, Phlojodicarpus villosus, and other organisms with data available. Aegelinol is found in fruits. Aegelinol is obtained from Aegle marmelos (bael fruit). obtained from Aegle marmelos (bael fruit). Aegelinol is found in fruits. D020536 - Enzyme Activators (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].
Nodakenetic
Nodakenetic, also known as (-)-marmesin or marmesin, (R)-isomer, is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one. Nodakenetic is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nodakenetic can be found in wild celery, which makes nodakenetic a potential biomarker for the consumption of this food product. Nodakenetin is a marmesin with R-configuration. It has a role as a plant metabolite, a rat metabolite and a xenobiotic metabolite. It is an enantiomer of a (+)-marmesin. Nodakenetin is a natural product found in Zanthoxylum beecheyanum, Melicope barbigera, and other organisms with data available. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity.
Columbianetin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins (S)-columbianetin is the (S)-(+)-enantiomer of columbianetin. It is an enantiomer of a (R)-columbianetin. Columbianetin is a natural product found in Campylotropis hirtella, Prangos tschimganica, and other organisms with data available. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2]. (+)-Columbianetin is an isomer of Columbianetin. Columbianetin is a phytoalexin associated with celery (Apium graveolens) resistance to pathogens during storage. Columbianetin exhibits excellent anti-fungal and anti-inflammatory activity[1][2].
Torachrysone
Torachrysone is a member of naphthols. Torachrysone is a natural product found in Rheum palmatum, Rumex japonicus, and other organisms with data available. Isolated from seeds of Cassia tora (charota). Torachrysone is found in coffee and coffee products, herbs and spices, and pulses. Torachrysone is found in coffee and coffee products. Torachrysone is isolated from seeds of Cassia tora (charota).
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
(2~{S})-3-(2-oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
Naphazoline hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D019141 - Respiratory System Agents > D014663 - Nasal Decongestants D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Naphazoline (Naphthazoline) hydrochloride is a potent α-adrenergic receptor agonist. Naphazoline hydrochloride reduces vascular hyperpermeability and promotes vasoconstriction. Naphazoline hydrochloride reduces the levels of inflammatory factors (TNF-α, IL-1β and IL-6), cytokines (IFN-γ and IL-4), IgE, GMCSF, and NGF。Naphazoline hydrochloride can be used for non-bacterial conjunctivitis research[1][2].
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.
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.
7-hydroxy-8-(2-hydroxy-3-methylbut-3-en-1-yl)-2H-chromen-2-one
7-hydroxy-6-(3-hydroxy-3-methylbut-1-en-1-yl)-2H-chromen-2-one
7,8-dihydroxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
N2-Oxalylarginine
Constituent of the shoots of apple and pear trees (Malus subspecies). N2-Oxalylarginine is found in malus (crab apple) and pomes. N2-Oxalylarginine is found in pomes. N2-Oxalylarginine is a constituent of the shoots of apple and pear trees (Malus species).
Nigellicine
Nigellicine is found in herbs and spices. Nigellicine is an alkaloid from the seeds of Nigella sativa (black cumin
Corticrocin
Isolated from paprika (Capsicum annuum). Corticrocin is found in many foods, some of which are yellow bell pepper, orange bell pepper, herbs and spices, and red bell pepper. Corticrocin is found in herbs and spices. Corticrocin is isolated from paprika (Capsicum annuum
Dihydrowyerone acid
Dihydrowyerone acid is found in pulses. Dihydrowyerone acid is a constituent of broad bean Vicia faba infected with Botrytis species. Constituent of broad bean Vicia faba infected with Botrytis subspecies Dihydrowyerone acid is found in pulses.
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).
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.
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]
Asparaginylasparagine
Asparaginylasparagine is a dipeptide composed of two asparagine residues. 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.
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)
8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one
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.
5,6-Dihydro-5-azacytidine
5,6-Dihydro-5'-azacytidine
2-(1H-Indol-2-ylmethyl)-1H-indole
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
Glycylglycylglycylglycine
(+)-marmesin
(+)-marmesin is a member of the class of compounds known as psoralens. Psoralens are organic compounds containing a psoralen moiety, which consists of a furan fused to a chromenone to for 7H-furo[3,2-g]chromen-7-one (+)-marmesin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). (+)-marmesin can be found in a number of food items such as common wheat, mango, broad bean, and rubus (blackberry, raspberry), which makes (+)-marmesin a potential biomarker for the consumption of these food products.
benzyl-6-hydroxy-2-cyclohexene-on-oyl
Benzyl-6-hydroxy-2-cyclohexene-on-oyl, also known as benzyl-hch, is a member of the class of compounds known as benzyloxycarbonyls. Benzyloxycarbonyls are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyl-6-hydroxy-2-cyclohexene-on-oyl is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Benzyl-6-hydroxy-2-cyclohexene-on-oyl can be found in a number of food items such as sunflower, american pokeweed, tea, and black cabbage, which makes benzyl-6-hydroxy-2-cyclohexene-on-oyl a potential biomarker for the consumption of these food products.
7-Hydroxy-6-(2-(R)-hydroxy-3-methylbut-3-enyl)coumarin
6-(4-hydroxy-3-methyl-2-butenyl)-7-hydroxy coumarin
2-Methoxy-4-oxo-6-phenyl-hexa-2,5-dienoic acid methyl ester
2-hydroxy-3 ,6-dimethyl-5-( 1-oxo-2,4-hexadienyl)-1 ,4-benzoquinone
(R)-(+)-7-Hydroxy-8-(2-hydroxy-3-methyl-3-butenyl)-2H-1-benzopyran-2-one
ethyl 5-amino-1-benzyl-1H-1,2,3-triazole-4-carboxylate
6-deoxyhaplopinol|7-[(E)-3-methyl-4-hydroxy-2-butenyloxy]coumarin
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.
4-Hydroxy-2-methoxy-5-(1-oxo-2,4-hexadienyl)-benzaldehyde
methyl 1-hydroxy-2,6-dimethoxy-4-oxocyclohexanacetate
1-(5-formyl-2-hydroxy-4-methoxyphenyl)-E,E-2,4-hexadien-1-one|5-Formyl-2-hydroxy-4-methoxy-(E,E)-sorbophenon|5-formyl-2-hydroxyl-4-methoxy-(E,E)-sorbophenone
Umbelliferone-(3-hydroxymethyl-1t.-buten-1-yl)-ether|Umbelliferone-<3-hydroxymethyl-1t.-buten-1-yl>-ether
Methyl 2-(5-acetyl-2,3-dihydrobenzofuran-2-yl)propenoate
acetic acid (2E,8Z)-10-acetoxydeca-2,8-diene-4,6-diyn-1-yl ester
(-)-(1R,3S)-7-hydroxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid|brunnein B
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.
1-(p-hydroxybenzyl-)-2-methoxybenzene-3,4-diol|stenocephol
(R)-(+)-7-(2,3-epoxy-3-methylbutoxy)coumarin|(R)-(+)-7-(2,3-epoxy-3-methylbutoxy)-coumarin
Di-Me ether-6,7-Dihydroxy-2,3-dimethyl-1,4-naphthoquinone
3-Hydroxy-7-hydroxy-8-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one
5-acetyl-2-isopropylidene-6-methoxy-benzofuran-3-one
2-(1H-indol-2-ylmethyl)-1H-indole
D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
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.
Aegelinol
Aegelinol is a member of coumarins. Aegelinol is a natural product found in Phlojodicarpus villosus and Angelica gigas with data available. Aegelinol is found in fruits. Aegelinol is obtained from Aegle marmelos (bael fruit). obtained from Aegle marmelos (bael fruit). Aegelinol is found in fruits. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1].
(2S)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one
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)
nodakenetin
Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2].
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.
C14H14O4_2H-Pyran-2-one, 5,6-dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-, (5S,6S)
(2S,3S)-3-hydroxy-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based on: CCMSLIB00000848272]
8-(2-hydroxypropan-2-yl)-8,9-dihydrofuro[2,3-h]chromen-2-one [IIN-based: Match]
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.
Met-pro
A dipeptide formed from L-methionine and L-proline residues.
Nigellicine
Aegelinol
(±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1]. (±)-Decursinol is a potent FtsZ inhibitor. (±)-Decursinol inhibits B. anthracis FtsZ polymerization with an IC50 of 102 μM[1].
4-benzyloxycarbonyl-1-methyl-3,4-dihydropyrazin-2(1H)-one
tert-butyl 3-formyl-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyran-4-one
ethyl 4-hydroxy-5-methoxynaphthalene-2-carboxylate
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
Glycylglycylglycylglycine
Tetraglycine is a oligopeptide composed of four glycine monomers[1].
6-METHOXY-1 2 3 4-TETRAHYDRO-9H-PYRIDO-&
methyl 2-oxo-5-propan-2-ylcyclohepta[b]furan-3-carboxylate
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
N-[(2R,3R,4R,5S,6R)-2-azido-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
4-o-acetyl-2,5-anhydro-1,3-isopropylidene-d-glucitol
Cyclic (p-methylbenzylidene)malonate2,2-propanediol
6-(4-Fluoro-2-methylphenyl)pyridazine-3-carboxylic acid hydrazide
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
[2-(4-METHOXY-PHENYL)-5-OXO-CYCLOPENT-1-ENYL]-ACETIC ACID
1-(1-Borono-1-phenylmethyl)-1H-pyrazole-4-boronic acid
(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
1-(BICYCLO[3.1.0]HEXAN-3-YL)-6-(METHYLTHIO)-1H-PYRAZOLO[3,4-D]PYRIMIDINE
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
3-[5-(4-methoxy-phenyl)-furan-2-yl]-propionic acid
4-(2,5-diMethylphenyl)-5-propyl-1,3-thiazol-2-aMine
3-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-propionic acid
5-(2,5-DIMETHYLPHENOXYMETHYL)FURAN-2-CARBOXYLICACID
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].
5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
Ethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoate
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
Marmesin
Nodakenetin is a marmesin with R-configuration. It has a role as a plant metabolite, a rat metabolite and a xenobiotic metabolite. It is an enantiomer of a (+)-marmesin. Nodakenetin is a natural product found in Zanthoxylum beecheyanum, Melicope barbigera, and other organisms with data available. A marmesin with R-configuration. (+)-marmesin is a marmesin. It is an enantiomer of a nodakenetin. Marmesin is a natural product found in Coronilla scorpioides, Clausena dunniana, and other organisms with data available. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity. S-(+)-Marmesin is a natural coumarin, exhibiting COX-2/5-LOX dual inhibitory activity.
Marmesine
Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2]. Nodakenetin, isolated from Angelica decursiva, possesses antioxidant anti-inflammatory activities. Nodakenetin has the potential to be an antiarthritic and nerve tonic[1][2].
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.
decursinol
D020536 - Enzyme Activators Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].
3-Hydroxy-4-methoxy-2-(2-phenylethenyl)-2,3-dihydropyran-6-one
6-[2-Oxo-5-(sulfanylmethyl)imidazolidin-4-yl]hexanoic acid
1-[3,4-Dihydroxy-5-(hydroxyamino)oxolan-2-yl]-4-imino-1,3-diazinan-2-one
2-Propan-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
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
6-[(E)-3-hydroxybut-1-enyl]-7-methoxychromen-2-one
8-[(3,3-Dimethyloxiran-2-yl)methyl]-7-hydroxychromen-2-one
(5S,6S)-5,6-Dihydro-5-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]-2H-pyran-2-one
4-Methyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one, TMS derivative
Smirino
Decursinol is an organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an antineoplastic agent, an analgesic and a metabolite. It is an organic heterotricyclic compound, a delta-lactone, a secondary alcohol and a cyclic ether. Decursinol is a natural product found in Smyrniopsis aucheri, Phlojodicarpus villosus, and other organisms with data available. An organic heterotricyclic compound that is 7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one substituted by a beta-hydroxy group at position 7 and two methyl groups at position 8. It is isolated from the roots of Angelica gigas and has been found to possess significant inhibitory activity against acetylcholinesterase enzyme (EC 3.1.1.7). D020536 - Enzyme Activators Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1]. Decursinol, isolated from the roots of Angelica gigas, possesses antinociceptive effect with orally bioavailability. Decursinol possesses anti-tumor and anti-metastasis activity[1].
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
(-)-Columbianetin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
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.
6-amino-5-(methylamino)-1-(phenylmethyl)pyrimidine-2,4-dione
8-hydroxy-13-methoxy-3,9-diazatricyclo[8.4.0.0³,⁷]tetradeca-1(14),8,10,12-tetraen-2-one
(3s)-3-(2-hydroxypropan-2-yl)-2h,3h-furo[3,2-g]chromen-7-one
7-hydroxy-6-[(2z)-4-hydroxy-3-methylbut-2-en-1-yl]chromen-2-one
7-hydroxy-6-[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]chromen-2-one
6-hydroxy-8,9,9-trimethyl-8h-furo[2,3-h]chromen-2-one
(1s,3s)-6-hydroxy-1-methyl-1h,2h,3h,4h,9h-pyrido[3,4-b]indole-3-carboxylic acid
(1s,2s,4s,5s,6r,8s,10s)-2-(hydroxymethyl)-8,10-dimethoxy-3,9-dioxatricyclo[4.4.0.0²,⁴]decan-5-ol
7-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}chromen-2-one
(3z,6z)-3-(3h-imidazol-4-ylmethylidene)-6-(2-methylpropylidene)pyrazine-2,5-diol
1-(3,4-dihydroxy-5-methoxynaphthalen-2-yl)propan-2-one
6-methoxy-7-[(2-methylprop-1-en-1-yl)oxy]chromen-2-one
(1r,2s,4e,5s,5's)-4-(hexa-2,4-diyn-1-ylidene)-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,2'-oxan]-5'-ol
1-hydroxy-3-(4-hydroxyphenyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
(3s,8as)-1-hydroxy-3-(4-hydroxyphenyl)-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
methyl 2-(5-acetyl-2,3-dihydro-1-benzofuran-2-yl)prop-2-enoate
7-methoxy-8-[(1e)-3-oxobut-1-en-1-yl]-3,4-dihydro-1-benzopyran-2-one
7-hydroxy-6-(2-(r)-hydroxy-3-methylbut-3-enyl)coumarin
{"Ingredient_id": "HBIN013250","Ingredient_name": "7-hydroxy-6-(2-(r)-hydroxy-3-methylbut-3-enyl)coumarin","Alias": "NA","Ingredient_formula": "C14H14O4","Ingredient_Smile": "CC(=C)C(CC1=C(C=C2C(=C1)C=CC(=O)O2)O)O","Ingredient_weight": "246.26 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10196","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "12050842","DrugBank_id": "NA"}
9alpha-Hydroxyfraxinellone
{"Ingredient_id": "HBIN014048","Ingredient_name": "9alpha-Hydroxyfraxinellone","Alias": "(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one; 3-Furan-3-yl-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-3H-isobenzofuran-1-one; 1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-6-hydroxy-3a,7-dimethyl-, (3R,3aR,6R)-; (3R,3aR,6R)-3-furan-3-yl-6-hydroxy-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one; rel-(3R,3aR,6R)-3-(3-furyl)-6-hydroxy-3a,7-dimethyl-3a,4,5,6-tetrahydro-2-benzofuran-1(3H)-one; InChI=1/C14H16O4/c1-8-10(15)3-5-14(2)11(8)13(16)18-12(14)9-4-6-17-7-9/h4,6-7,10,12,15H,3,5H2,1-2H3/t10-,12+,14-/m1/s; (-)-(3R,3aR,6R)-3-(3'-Furanyl)-3a,7-dimethyl-6-hydroxy-1,3,3a,4,5,6-hexahydrobenzo[c]furan-1-one","Ingredient_formula": "C14H14O4","Ingredient_Smile": "CC1=C2C(=O)OC(C2(CCC1O)C)C3=COC=C3","Ingredient_weight": "246.26","OB_score": "75.49531473","CAS_id": "128475-17-2","SymMap_id": "SMIT07908","TCMID_id": "NA","TCMSP_id": "MOL006259","TCM_ID_id": "NA","PubChem_id": "636856","DrugBank_id": "NA"}
