Exact Mass: 186.052821
Exact Mass Matches: 186.052821
Found 500 metabolites which its exact mass value is equals to given mass value 186.052821,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Angelicin
Angelicin is a furanocoumarin. Angelicin is a natural product found in Cullen cinereum, Psoralea glabra, and other organisms with data available. Angelicin is found in coriander. Angelicin is a constituent of roots and leaves of angelica (Angelica archangelica). Angelicin is found in roots and on surface of parsnips and diseased celery.Angelicin is a furanocoumarin. It can be found in Bituminaria bituminosa. It is present in the list of IARC Group 3 carcinogens (Angelicin plus ultraviolet A radiation). (Wikipedia). See also: Angelica archangelica root (part of); Cullen corylifolium fruit (part of). Angelicin is found in coriander. Angelicin is a constituent of roots and leaves of angelica (Angelica archangelica). Angelicin is found in roots and on surface of parsnips and diseased celery.Angelicin is a furanocoumarin. It can be found in Bituminaria bituminosa. It is present in the list of IARC Group 3 carcinogens (Angelicin plus ultraviolet A radiation). (Wikipedia). Constituent of roots and leaves of angelica (Angelica archangelica). Found in roots and on surface of parsnips and diseased celery D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Angelicin is a natural tricyclic aromatic hydrocarbon compound that is structurally related to psoralen and has anti-cancer, anti-inflammatory, anti-viral and other activities. Cytotoxic, IC50: 49.56 μM; inhibits MHV-68, IC50: 5.39 μg/ml (28.95 μM). Angelicin is a natural tricyclic aromatic hydrocarbon compound that is structurally related to psoralen and has anti-cancer, anti-inflammatory, anti-viral and other activities. Cytotoxic, IC50: 49.56 μM; inhibits MHV-68, IC50: 5.39 μg/ml (28.95 μM).
Psoralen
Psoralen is the simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. It has a role as a plant metabolite. 8-methoxsalen and 5-methoxsalen are furocoumarins referred to collectively as psoralens that have photosensitizing activity and are used orally and topically in conjunction with ultraviolet irradiation for the therapy of psoriasis and vitiligo. Psoralens have been linked to a low rate of transient serum enzyme elevations during therapy and to rare instances of clinically apparent acute liver injury. Psoralen is a natural product found in Cullen cinereum, Ficus erecta var. beecheyana, and other organisms with data available. Psoralen is a furocoumarin that intercalates with DNA, inhibiting DNA synthesis and cell division. Psoralen is used in Photochemotherapy with high-intensity long-wavelength UVA irradiation. Psoralens are tricyclic furocumarins and have a strong tendency to intercalate with DNA base pairs. Irradiation of nucleic acids in the presence of psoralen with long wave UV (~360 nm) results in the 2+2 cyclo- addition of either of its two photoreactive sites with 5,6-carbon bonds of pyrimidines resulting in crosslinking double-stranded nucleic acids. Psoralen is found in carrot. Psoralen is found in common vegetables, e.g. parsnip, celery especially if diseased or `spoiled Psoralen is a significant mutagen and is used for this purpose in molecular biology research.Psoralen has been shown to exhibit anti-proliferative, anti-allergenic and anti-histamine functions (A7781, A7782, A7782).Psoralen belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. A naturally occurring furocoumarin, found in PSORALEA. After photoactivation with UV radiation, it binds DNA via single and double-stranded cross-linking. See also: Angelica keiskei top (part of); Cullen corylifolium fruit (part of). Psoralen, also known as psoralene, ficusin or manaderm, belongs to the class of organic compounds known as psoralens. These 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. Psoralen is the parent compound in a family of naturally occurring organic compounds known as the linear furanocoumarins. Psoralen is structurally related to coumarin by the addition of a fused furan ring and is considered as a derivative of umbelliferone. Biosynthetically, psoralen originates from coumarins in the shikimate pathway. Psoralen is produced exclusively by plants but can be found in animals that consume these plants. Psoralen can be found in several plant sources with Ficus carica (the common fig) being probably the most abundant source of psoralens. They are also found in small quantities in Ammi visnaga (bisnaga), Pastinaca sativa (parsnip), Petroselinum crispum (parsley), Levisticum officinale (lovage), Foeniculum vulgare (fruit, i.e., Fennel seeds), Daucus carota (carrot), Psoralea corylifolia (babchi), Apium graveolens (celery), and bergamot oil (bergapten, bergamottin). Psoralen is found in all citrus fruits. Psoralen is a well-known mutagen and is used for this purpose in molecular biology research. Psoralen intercalates into DNA and on exposure to ultraviolet (UVA) radiation can form monoadducts and covalent inter-strand cross-links (ICL) with thymines in the DNA molecule. Psoralen also functions as a drug. An important use of psoralen is in the treatment for skin problems such as psoriasis and, to a lesser extent, eczema and vitiligo. This treatment takes advantage of the high UV absorbance of psoralen. In treating these skin conditions psoralen is applied first to sensitise the skin, then UVA light is applied to clean up the skin problem. Psoralen has also been recommended for treating alopecia. The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics Found in common vegetables, e.g. parsnip, celery especies if diseased or `spoiled D003879 - Dermatologic Agents INTERNAL_ID 18; CONFIDENCE Reference Standard (Level 1) CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 18 Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1]. Psoralen. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=66-97-7 (retrieved 2024-10-18) (CAS RN: 66-97-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Carbimazole
Carbimazole is only found in individuals that have used or taken this drug. It is an imidazole antithyroid agent. Carbimazole is metabolized to methimazole, which is responsible for the antithyroid activity. [PubChem]Carbimazole is an aitithyroid agent that decreases the uptake and concentration of inorganic iodine by thyroid, it also reduces the formation of di-iodotyrosine and thyroxine. Once converted to its active form of methimazole, it prevents the thyroid peroxidase enzyme from coupling and iodinating the tyrosine residues on thyroglobulin, hence reducing the production of the thyroid hormones T3 and T4. H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BB - Sulfur-containing imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent
1-Naphthaleneacetic acid
Plant growth regulator. 1-Naphthaleneacetic acid is used for control of preharvest fruit drop, flower induction and fruit thinning in various crops such as apples, potatoes, olives and citrus fruits.1-Naphthaleneacetic acid (NAA) is a plant hormone in the auxin family. It is a rooting agent and used for the vegetative propagation of plants from stem and leaf cutting. It is also used for plant tissue culture. NAA does not occur naturally. Under the Federal Insecticide, Fungicide, and Rodenticide Act (FIFRA), products containing NAA require registration with the Environmental Protection Agency (EPA) as pesticides. (Wikipedia 1-naphthaleneacetic acid is a naphthylacetic acid substituted by a carboxymethyl group at position 1. It has a role as a synthetic auxin. It is a conjugate acid of a 1-naphthaleneacetate. 1-Naphthylacetic acid is a natural product found in Cocos nucifera, Humulus lupulus, and other organisms with data available. 1-Naphthaleneacetic acid (1-Naphthylacetic acid), a auxin, can promote plant growth. 1-Naphthaleneacetic acid is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2]. 1-Naphthaleneacetic acid (1-Naphthylacetic acid), a auxin, can promote plant growth. 1-Naphthaleneacetic acid is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2].
mafenide
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
Eutypine
Eutypine is a member of the class of compounds known as hydroxybenzaldehydes. Hydroxybenzaldehydes are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl group. Eutypine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eutypine can be found in common grape, which makes eutypine a potential biomarker for the consumption of this food product.
alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists (RS)-AMPA ((±)-AMPA) is a glutamate analogue and a potent and selective excitatory neurotransmitter L-glutamic acid agonist. (RS)-AMPA does not interfere with binding sites for kainic acid or NMDA receptors[1][2].
4-Hydroxy-alpha-oxo-1H-indole-3-acetonitrile
C10H6N2O2 (186.04292560000002)
Erinapyrone C
Erinapyrone C is found in mushrooms. Erinapyrone C is produced by the fungus Hericium erinaceus (lions mane). Production by the fungus Hericium erinaceus (lions mane). Erinapyrone C is found in mushrooms.
2-Chloro-1,3-dimethoxy-5-methylbenzene
2-Chloro-1,3-dimethoxy-5-methylbenzene is found in mushrooms. 2-Chloro-1,3-dimethoxy-5-methylbenzene is isolated from mycelia of Hericium erinaceum (lions mane
Pyrocoll
C10H6N2O2 (186.04292560000002)
Pyrocoll is obtained from gelatine. obtained from gelatine.
Pyroglutamylglycine
Pyroglutamylglycine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
2-Amino-2-(5-methyl-3-oxo-1,2-oxazol-4-yl)propanoic Acid
O-Ethyl s-(2-furylmethyl)thiocarbonate
It is used as a food additive .
Ethyl 2-amino-4-methylthiazole-5-carboxylate
4-PHENOXYPHENOL
CONFIDENCE standard compound; INTERNAL_ID 180; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3930; ORIGINAL_PRECURSOR_SCAN_NO 3928 CONFIDENCE standard compound; INTERNAL_ID 180; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3895; ORIGINAL_PRECURSOR_SCAN_NO 3893 CONFIDENCE standard compound; INTERNAL_ID 180; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3891; ORIGINAL_PRECURSOR_SCAN_NO 3889 CONFIDENCE standard compound; INTERNAL_ID 180; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3923; ORIGINAL_PRECURSOR_SCAN_NO 3921 CONFIDENCE standard compound; INTERNAL_ID 180; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3895; ORIGINAL_PRECURSOR_SCAN_NO 3892 CONFIDENCE standard compound; INTERNAL_ID 180; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3886; ORIGINAL_PRECURSOR_SCAN_NO 3883 CONFIDENCE standard compound; INTERNAL_ID 8022
Methyl 1-naphthoate
CONFIDENCE standard compound; INTERNAL_ID 8031
4-Methoxy-1-naphthaldehyde
CONFIDENCE standard compound; INTERNAL_ID 8058
2-Methoxy-1-naphthaldehyde
CONFIDENCE standard compound; INTERNAL_ID 8145
m-Xylenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 814; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3173; ORIGINAL_PRECURSOR_SCAN_NO 3172 CONFIDENCE standard compound; INTERNAL_ID 814; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3179; ORIGINAL_PRECURSOR_SCAN_NO 3178 CONFIDENCE standard compound; INTERNAL_ID 814; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3156; ORIGINAL_PRECURSOR_SCAN_NO 3155 CONFIDENCE standard compound; INTERNAL_ID 814; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3172; ORIGINAL_PRECURSOR_SCAN_NO 3171 CONFIDENCE standard compound; INTERNAL_ID 814; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3183; ORIGINAL_PRECURSOR_SCAN_NO 3182 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 8344
2-Methyl-6-phenyl-4H-pyran-4-one
CONFIDENCE standard compound; INTERNAL_ID 8348
4-butyl-2-chloro-5-formyl-1H-imidazole
C8H11ClN2O (186.05598659999998)
3a,4,5,7a-Tetrahydro-4,5-dihydroxy-6-methyl-1,3-benzodioxole-2-one
2-Decene-4,6,8-triyn-1-ol-Ac|Z-dehydromatricarianol acetate
cis-Undec-3-en-5,7,9-triinsaeure-methylester|Methyl undec-cis-3-en-5,7,9-triinoat|Undec-3c-en-5,7,9-triinsaeure-methylester|undec-3c-ene-5,7,9-triynoic acid methyl ester
alpha-Amino-2,5-dihydro-5-oxo-3-isoxazolebutanoic acid
ethyl (E)-2-decene-4,6,8-triynoate|trans-Dehydro-matricariasaeure-ethylester
2-(Octatrien-(3,5,7)-in-(1)-yl)-thiophen|2--thiophen
5-Acetoxymethyl-4,5-dihydroxy-2-cyclopentene-1-one
5-Octa-1,2-dien-4,6-diinyl-dihydro-furan-2-on|5-octa-1,2-diene-4,6-diynyl-dihydro-furan-2-one
(E)-2-(4-hydroxy-2-oxoindolin-3-ylidene)acetonitrile
C10H6N2O2 (186.04292560000002)
(3aS,4R,5S,7aR)-4,5-dihydroxy-7-methyl-3a,4,5,7a-tetrahydrobenzo[1,3]dioxol-2-one
1-(2-Hydroxy-phenyl)-hexa-2,4-diin-1-ol|1-(2-Hydroxyphenyl)-2,4-hexadiyn-1-ol|1-Hydroxy-1-(2-hydroxy-pheny)-hexa-2,4-diin|2-(1-Hydroxyhexadiin-(2,4)-yl)-phenol|2-<1-Hydroxyhexadiin-(2,4)-yl>-phenol
2-hydroxy-3-(2-methylidenecyclopropyl)butanedioic acid
A 2-hydroxydicarboxylic acid that is malic acid in which one of the methylene hydrogens at position 3 has been replaced by a methylidenecyclopropyl group.
4-hydroxyindole-3-carbonyl nitrile
C10H6N2O2 (186.04292560000002)
Psoralen
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics relative retention time with respect to 9-anthracene Carboxylic Acid is 0.856 D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.851 Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1]. Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1].
Carbimazole
H - Systemic hormonal preparations, excl. sex hormones and insulins > H03 - Thyroid therapy > H03B - Antithyroid preparations > H03BB - Sulfur-containing imidazole derivatives D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D013956 - Antithyroid Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C885 - Antithyroid Agent CONFIDENCE standard compound; INTERNAL_ID 719; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6042; ORIGINAL_PRECURSOR_SCAN_NO 6040 CONFIDENCE standard compound; INTERNAL_ID 719; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6076; ORIGINAL_PRECURSOR_SCAN_NO 6074 CONFIDENCE standard compound; INTERNAL_ID 719; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6075; ORIGINAL_PRECURSOR_SCAN_NO 6072 CONFIDENCE standard compound; INTERNAL_ID 719; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6087; ORIGINAL_PRECURSOR_SCAN_NO 6085 CONFIDENCE standard compound; INTERNAL_ID 719; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6102; ORIGINAL_PRECURSOR_SCAN_NO 6100
Angelicin
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Origin: Plant, Coumarins Angelicin is a natural tricyclic aromatic hydrocarbon compound that is structurally related to psoralen and has anti-cancer, anti-inflammatory, anti-viral and other activities. Cytotoxic, IC50: 49.56 μM; inhibits MHV-68, IC50: 5.39 μg/ml (28.95 μM). Angelicin is a natural tricyclic aromatic hydrocarbon compound that is structurally related to psoralen and has anti-cancer, anti-inflammatory, anti-viral and other activities. Cytotoxic, IC50: 49.56 μM; inhibits MHV-68, IC50: 5.39 μg/ml (28.95 μM).
1-Naphthaleneacetic acid
1-Naphthaleneacetic acid (1-Naphthylacetic acid), a auxin, can promote plant growth. 1-Naphthaleneacetic acid is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2]. 1-Naphthaleneacetic acid (1-Naphthylacetic acid), a auxin, can promote plant growth. 1-Naphthaleneacetic acid is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2].
Endothal
CONFIDENCE standard compound; INTERNAL_ID 368; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1993; ORIGINAL_PRECURSOR_SCAN_NO 1991 CONFIDENCE standard compound; INTERNAL_ID 368; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2027; ORIGINAL_PRECURSOR_SCAN_NO 2026 INTERNAL_ID 368; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1994; ORIGINAL_PRECURSOR_SCAN_NO 1992 CONFIDENCE standard compound; INTERNAL_ID 368; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1994; ORIGINAL_PRECURSOR_SCAN_NO 1992 CONFIDENCE standard compound; INTERNAL_ID 368; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 1980; ORIGINAL_PRECURSOR_SCAN_NO 1978 CONFIDENCE standard compound; INTERNAL_ID 368; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2035; ORIGINAL_PRECURSOR_SCAN_NO 2034 CONFIDENCE standard compound; INTERNAL_ID 368; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2029; ORIGINAL_PRECURSOR_SCAN_NO 2028
2,5-dimethylbenzenesulfonic acid
CONFIDENCE standard compound; INTERNAL_ID 881; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3173; ORIGINAL_PRECURSOR_SCAN_NO 3172 CONFIDENCE standard compound; INTERNAL_ID 881; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3179; ORIGINAL_PRECURSOR_SCAN_NO 3178 CONFIDENCE standard compound; INTERNAL_ID 881; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3156; ORIGINAL_PRECURSOR_SCAN_NO 3155 CONFIDENCE standard compound; INTERNAL_ID 881; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3172; ORIGINAL_PRECURSOR_SCAN_NO 3171 CONFIDENCE standard compound; INTERNAL_ID 881; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3183; ORIGINAL_PRECURSOR_SCAN_NO 3182
Pyrocoll
C10H6N2O2 (186.04292560000002)
Pyridazine,3-chloro-6-(1,1-dimethylethoxy)-
C8H11ClN2O (186.05598659999998)
azane,(2Z)-2-(furan-2-yl)-2-methoxyiminoacetic acid
2-amino-3-(3-hydroxy-4-methyl-isoxazol-5-yl)-propionic acid
N-(3-Amino-2,6-difluorophenyl)acetamide
C8H8F2N2O (186.06046619999998)
Pyrido[3,4-e]imidazo[1,5-a]pyrazin-4(5H)-one (9CI)
1-Imidazolidineacetic acid,-alpha-,4-dimethyl-2,5-dioxo-
3H-Benzo[4,5]furo[3,2-d]pyrimidin-4-one
C10H6N2O2 (186.04292560000002)
2-(2,5-difluoro-phenyl)-n-hydroxy-acetamidine
C8H8F2N2O (186.06046619999998)
2-(2,6-difluoro-phenyl)-n-hydroxy-acetamidine
C8H8F2N2O (186.06046619999998)
3-(4-methyl-2,5-dioxo-imidazolidin-4-yl)propanoic acid
4(1H)-Pyrimidinone,2,3-dihydro-5-(2-hydroxyethyl)-6-methyl-2-thioxo-
6-Cyano-1H-indole-3-carboxylic acid
C10H6N2O2 (186.04292560000002)
(R)-4,4-DIFLUOROPYRROLIDINE-2-CARBOXAMIDE HYDROCHLORIDE
6-amino-5-(nitro)-1-methylpyrimidine-2,4(1H,3H)-dione
2H-benzo[b][1,4]oxazin-4(3H)-amine hydrochloride
C8H11ClN2O (186.05598659999998)
3-(4-METHYL-2,5-DIOXO-IMIDAZOLIDIN-4-YL)-PROPIONIC ACID
4-HYDROXY-6-METHOXYMETHYL-2-(METHYLTHIO)PYRIMIDINE
2-(1,3-Dioxoisoindolin-2-yl)acetonitrile
C10H6N2O2 (186.04292560000002)
(1,3-DIMETHYL-2,5-DIOXO-IMIDAZOLIDIN-4-YL)-ACETIC ACID
N-(3-chloro-1-cyanocyclopentyl)acetamide
C8H11ClN2O (186.05598659999998)
(S)-Ampa
(S)-AMPA (L-AMPA), an active S-enantiomer of AMPA, is a potent and selective AMPA receptor agonist[1][2].
METHYL 3-HYDRAZINO-4-METHYLTHIOPHENE-2-CARBOXYLATE
3-Cyano-6-(2-furanyl)-2-hydroxypyridine
C10H6N2O2 (186.04292560000002)
2-Methoxy-6-methyl-5-(methylthio)-4(1H)-pyrimidinone
3-Cyano-1H-indole-5-carboxylic acid
C10H6N2O2 (186.04292560000002)
2-(3,5-Difluorophenyl)acetohydrazide
C8H8F2N2O (186.06046619999998)
6-Hydroxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile
C10H6N2O2 (186.04292560000002)
5-AMINO-1-(PYRIMIDIN-2-YL)-1H-PYRAZOLE-4-CARBONITRILE
1-ETHYLDIHYDRO-3-METHYL-2-THIOXO-4,6(1H,5H)-PYRIMIDINEDIONE
(5-Chloro-1-benzothiophen-3-yl)methanol
C8H11ClN2O (186.05598659999998)
1H-Benzimidazole-2-acetonitrile,alpha-(hydroxyimino)-(9CI)
2,3,4,5-TETRAHYDROPYRIDO[3,2-F][1,4]OXAZEPINE DIHYDROCHLORIDE
C8H11ClN2O (186.05598659999998)
5-(Methoxymethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
1,4-Dihydro-9H-1,2,3-triazolo[4,5-b]quinolin-9-one
3-Cyano-1H-indole-4-carboxylic acid
C10H6N2O2 (186.04292560000002)
1H-Imidazole-4-carbonyl chloride, 1-methyl-2-propyl- (9CI)
C8H11ClN2O (186.05598659999998)
6-cyano-1H-indole-2-carboxylic acid
C10H6N2O2 (186.04292560000002)
Sodium phenylbutyrate
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AX - Various alimentary tract and metabolism products C471 - Enzyme Inhibitor > C1946 - Histone Deacetylase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent D000970 - Antineoplastic Agents
2-PHENOXYACETAMIDINE HYDROCHLORIDE
C8H11ClN2O (186.05598659999998)
4-methoxybenzamidine, hydrochloride
C8H11ClN2O (186.05598659999998)
3-(chloroMethyl)-5-cyclopentyl-1,2,4-oxadiazole
C8H11ClN2O (186.05598659999998)
3-Methoxybenzamidine hydrochloride
C8H11ClN2O (186.05598659999998)
3,8-dihydrocyclobuta[b]quinoxaline-1,2-dione
C10H6N2O2 (186.04292560000002)
(4,4-dimethyl-2,5-dioxo-1-imidazolidinyl)acetic acid(SALTDATA: FREE)
1,2,3,5,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-4-YLAMINE
2-Chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-imidazole
C8H11ClN2O (186.05598659999998)
1H-1,2,4-Triazole-1-aceticacid, 3-nitro-, methyl ester
N-Methylbenzohydrazide hydrochloride
C8H11ClN2O (186.05598659999998)
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-ethynyl-
C10H6N2O2 (186.04292560000002)
1H-Benzimidazole,2-methyl-1-(1-oxo-2-propenyl)-(9CI)
2-(3,4-DIFLUORO-PHENYL)-N-HYDROXY-ACETAMIDINE
C8H8F2N2O (186.06046619999998)
(R)-(+)-3-(Dimethylamino)pyrrolidine dihydrochloride
(S)-N,N-DIMETHYLPYRROLIDIN-3-AMINE DIHYDROCHLORIDE
1-Piperazinecarboxylic acid,2,2-dimethyl-3,5-dioxo-
N-Phenylglycinamide hydrochloride (1:1)
C8H11ClN2O (186.05598659999998)
5-(1-Hydroxyethylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
2-chloro-6-methylpyrimidine-4-carbohydrazide
C6H7ClN4O (186.03083619999998)
2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile
1-Propanone, 1-(2,4-difluorophenyl)-2-hydroxy-, (2R)-
1-methyl-3-((methylamino)methyl)-1H-pyrazole-5-carbonitrilehydrochloridesalt
6-Quinazolinecarbonitrile, 2-amino-3,4-dihydro-4-oxo-
4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-5-methoxy-2,6-dioxo-
2-Butyl-4-chloro-5-formylimidazole
C8H11ClN2O (186.05598659999998)
Ammonium (Z)-2-(furan-2-yl)-2-(methoxyimino)acetate
methyl 3-hydroxy-4,5-dimethylthiophene-2-carboxylate
5-(4-HYDROXY-PHENYL)-3H-[1,2,3]TRIAZOLE-4-CARBONITRILE
Benzoic acid, 2,5-difluoro-3-methyl-, methyl ester
3-Carbamoyl-1,4-dimethylpyridinium chloride
C8H11ClN2O (186.05598659999998)
1H-Pyrazole-4-carbonyl chloride, 3-methyl-1-(1-methylethyl)- (9CI)
C8H11ClN2O (186.05598659999998)
2-Methylamino-1,3-thiazole-4-carboxylic acid ethyl ester
5,6,7,8-Tetrahydro-2,6-naphthyridin-1(2H)-one hydrochloride
C8H11ClN2O (186.05598659999998)
Aspartyl-alanyl-diketopiperazine
COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
(4S)-2-[(1E)-1-Aminoprop-1-enyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid
1-Naphthylacetic acid
1-Naphthaleneacetic acid (1-Naphthylacetic acid), a auxin, can promote plant growth. 1-Naphthaleneacetic acid is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2]. 1-Naphthaleneacetic acid (1-Naphthylacetic acid), a auxin, can promote plant growth. 1-Naphthaleneacetic acid is also an inhibitor of PLA2, with an IC50 of 13.16 μM[1][2].
Ficusin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics D003879 - Dermatologic Agents Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1]. Psoralen (Ficusin) is a coumarin isolated from the seeds of Fructus Psoraleae. Psoralen exhibits a wide range of biological properties, including anti-cancer, antioxidant, antidepressant, anticancer, antibacterial, and antiviral, et al[1].
Angecin
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D007364 - Intercalating Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D002491 - Central Nervous System Agents > D000927 - Anticonvulsants Angelicin is a natural tricyclic aromatic hydrocarbon compound that is structurally related to psoralen and has anti-cancer, anti-inflammatory, anti-viral and other activities. Cytotoxic, IC50: 49.56 μM; inhibits MHV-68, IC50: 5.39 μg/ml (28.95 μM). Angelicin is a natural tricyclic aromatic hydrocarbon compound that is structurally related to psoralen and has anti-cancer, anti-inflammatory, anti-viral and other activities. Cytotoxic, IC50: 49.56 μM; inhibits MHV-68, IC50: 5.39 μg/ml (28.95 μM).
6-acetamido-2-Oxohexanoate
C8H12NO4- (186.07662919999999)
A 2-oxo monocarboxylic acid anion that is the conjugate base of 6-acetamido-2-oxohexanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
cis-1-Amino-1,3-dicarboxycyclohexane
C8H12NO4- (186.07662919999999)
N-acetyl-L-2-aminoadipate semialdehyde
C8H12NO4- (186.07662919999999)
AG 18
C10H6N2O2 (186.04292560000002)
C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor D000970 - Antineoplastic Agents > D020032 - Tyrphostins D004791 - Enzyme Inhibitors
mafenide
D - Dermatologicals > D06 - Antibiotics and chemotherapeutics for dermatological use > D06B - Chemotherapeutics for topical use > D06BA - Sulfonamides D004791 - Enzyme Inhibitors > D002257 - Carbonic Anhydrase Inhibitors C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents
5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at position 5 by a methyl group.
2-oxosuberate(2-)
An oxo dicarboxylic acid dianion that is the conjugate base of 2-oxosuberic acid resulting from the deprotonation of the two carboxy groups. Major microspecies at pH 7.3.
(RS)-AMPA
D018377 - Neurotransmitter Agents > D018683 - Excitatory Amino Acid Agents > D018690 - Excitatory Amino Acid Agonists (RS)-AMPA ((±)-AMPA) is a glutamate analogue and a potent and selective excitatory neurotransmitter L-glutamic acid agonist. (RS)-AMPA does not interfere with binding sites for kainic acid or NMDA receptors[1][2].
4-hydroxy-indole-3-carbonyl nitrile
C10H6N2O2 (186.04292560000002)
A member of the class of hydroxyindoles that is 1H-indol-4-ol which is substituted by a nitriloacetyl group at the 3 position.
Isopsoralen
Isopsoralen is a natural organic compound belonging to the family of furocoumarins, which are well-known for their phototoxic and photochemical properties. It is found in various plants, including species of the genus Psoralea, from which it derives its name. Isopsoralen is structurally similar to psoralen, another furocoumarin, but with a distinct arrangement of functional groups. Chemically, isopsoralen consists of a furan ring fused to a coumarin moiety. This structure imparts the compound with its unique photobiological activities. When exposed to ultraviolet (UV) light, particularly UVA radiation, isopsoralen intercalates into the DNA strands, forming covalent bonds with the DNA bases. This interaction can lead to the formation of DNA crosslinks, which can be mutagenic and cytotoxic, and can also interfere with DNA replication and transcription processes. Due to these properties, isopsoralen and other psoralen derivatives have been used in photodynamic therapy (PDT), particularly in the treatment of skin disorders such as psoriasis and vitiligo. In PDT, the psoralen compound is applied or administered orally, followed by exposure to UV light. The activated psoralen induces therapeutic effects by damaging the hyperproliferative skin cells. Isopsoralen also has applications in research, where it is used as a tool to study DNA damage and repair mechanisms. However, the use of isopsoralen and related compounds requires careful consideration due to their potential risks, including skin irritation and an increased risk of skin cancer with prolonged or excessive UV exposure. In summary, isopsoralen is a furocoumarin with significant photobiological activities, primarily used in photodynamic therapy and as a research tool in the study of DNA. Its use is associated with potential risks, highlighting the importance of careful application and monitoring when utilizing this compound.
5-butyl-2-chloro-1h-imidazole-4-carbaldehyde
C8H11ClN2O (186.05598659999998)
methyl 4-[hydroxy(methoxy)methyl]furan-2-carboxylate
3-hydroxy-vanillic acid
{"Ingredient_id": "HBIN008754","Ingredient_name": "3-hydroxy-vanillic acid","Alias": "NA","Ingredient_formula": "C8H10O5","Ingredient_Smile": "COC1(CC(=CC=C1O)C(=O)O)O","Ingredient_weight": "186.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40200","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "129848169","DrugBank_id": "NA"}