Exact Mass: 216.04562719999998

Exact Mass Matches: 216.04562719999998

Found 182 metabolites which its exact mass value is equals to given mass value 216.04562719999998, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Isobergapten

5-BENZOFURANACRYLIC ACID, 4-HYDROXY-6-METHOXY-, .DELTA.-LACTONE

C12H8O4 (216.0423)


Isobergapten is a furanocoumarin. Isobergapten is a natural product found in Dorstenia psilurus, Saposhnikovia divaricata, and other organisms with data available. Isobergapten is a furocoumarin. Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. Isobergapten is a member of the class of compounds known as angular furanocoumarins. Angular furanocoumarins are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Isobergapten is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Isobergapten can be found in parsnip, which makes isobergapten a potential biomarker for the consumption of this food product. Isobergapten is a non-carcinogenic (not listed by IARC) potentially toxic compound. Furocoumarin toxins can cause stomach ache and may also cause a painful skin reaction when contact with the parsnip plant is combined with UV rays from sunlight (L579) (T3DB). Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1]. Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1].

   

Bergapten

4-methoxyfuro[3,2-g]chromen-7-one

C12H8O4 (216.0423)


Bergapten, also known as O-methylbergaptol or heraclin, belongs to the class of organic compounds known as 5-methoxypsoralens. These are psoralens containing a methoxy group attached at the C5 position of the psoralen group. Bergapten is found, on average, in the highest concentration within a few different foods, such as anises, figs, and parsnips and in a lower concentration in carrots, fennels, and celery stalks. Bergapten has also been detected, but not quantified, in several different foods, such as coconuts, pepper (c. frutescens), corianders, sesbania flowers, and cardamoms. This could make bergapten a potential biomarker for the consumption of these foods. It is also found in rose hip, sweet marjoram, greenthread tea, and tartary buckwheat. Bergapten is a potentially toxic compound. Bergapten is a major constituent of bergamot oil (Citrus bergamia). Present in celery, especially the outer leaves, and other common grocery vegetables. Implicated in photodermatitis among grocery workers. Bergapten was under investigation in clinical trial NCT00533195 "Comparison of UVA1 Phototherapy Versus Photochemotherapy for Patients With Severe Generalized Atopic Dermatitis". Grayish-white microcrystalline powder or yellow fluffy solid. (NTP, 1992) 5-methoxypsoralen is a 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5. It has a role as a hepatoprotective agent and a plant metabolite. It is a member of psoralens, a 5-methoxyfurocoumarin and an organic heterotricyclic compound. It is functionally related to a psoralen. Bergapten is under investigation in clinical trial NCT00533195 (Comparison of UVA1 Phototherapy Versus Photochemotherapy for Patients With Severe Generalized Atopic Dermatitis). Bergapten is a natural product found in Ficus auriculata, Ficus virens, and other organisms with data available. A linear furanocoumarin that has phototoxic and anti-inflammatory properties, with effects similar to METHOXSALEN. It is used in PUVA THERAPY for the treatment of PSORIASIS. See also: Parsley (part of); Anise (part of); Angelica archangelica root (part of) ... View More ... Bergapten is a major constituent of bergamot oil (Citrus bergamia). Present in celery, esp. the outer leaves, and other common grocery vegetables. Implicated in photodermatitis among grocery workers. It is also found in rose hip, sweet marjoram, greenthread tea, and tartary buckwheat. D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D000893 - Anti-Inflammatory Agents D003879 - Dermatologic Agents CONFIDENCE standard compound; INTERNAL_ID 1068; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8020; ORIGINAL_PRECURSOR_SCAN_NO 8017 CONFIDENCE standard compound; INTERNAL_ID 1068; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8002; ORIGINAL_PRECURSOR_SCAN_NO 8000 CONFIDENCE standard compound; INTERNAL_ID 1068; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7952; ORIGINAL_PRECURSOR_SCAN_NO 7950 CONFIDENCE standard compound; INTERNAL_ID 1068; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7968; ORIGINAL_PRECURSOR_SCAN_NO 7967 CONFIDENCE standard compound; INTERNAL_ID 1068; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8005; ORIGINAL_PRECURSOR_SCAN_NO 8002 CONFIDENCE standard compound; INTERNAL_ID 1068; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8376; ORIGINAL_PRECURSOR_SCAN_NO 8372 [Raw Data] CBA84_Bergapten_pos_20eV.txt [Raw Data] CBA84_Bergapten_pos_10eV.txt [Raw Data] CBA84_Bergapten_pos_30eV.txt [Raw Data] CBA84_Bergapten_pos_40eV.txt [Raw Data] CBA84_Bergapten_pos_50eV.txt Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms. Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms.

   

Methoxsalen

Methoxsalen, United States Pharmacopeia (USP) Reference Standard

C12H8O4 (216.0423)


8-methoxypsoralen is an odorless white to cream-colored crystalline solid. Bitter taste followed by tingling sensation. (NTP, 1992) Methoxsalen is a member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. It has a role as a dermatologic drug, an antineoplastic agent, a photosensitizing agent, a cross-linking reagent and a plant metabolite. It is a member of psoralens and an aromatic ether. It is functionally related to a psoralen. A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA adducts in the presence of ultraviolet A irradiation. Methoxsalen is a Photoactivated Radical Generator and Psoralen. The mechanism of action of methoxsalen is as a Photoabsorption. The physiologic effect of methoxsalen is by means of Photosensitizing Activity. Methoxsalen is a natural product found in Ammi visnaga, Zanthoxylum mayu, and other organisms with data available. Methoxsalen is a naturally occurring substance isolated from the seeds of the plant Ammi majus with photoactivating properties. As a member of the family of compounds known as psoralens or furocoumarins, methoxsalens exact mechanism of action is unknown; upon photoactivation, methoxsalen has been observed to bind covalently to and crosslink DNA. (NCI04) Methoxsalen is only found in individuals that have used or taken this drug. It is a naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA adducts in the presence of ultraviolet A irradiation. After activation Methoxsalen binds preferentially to the guanine and cytosine moieties of DNA, leading to cross-linking of DNA, thus inhibiting DNA synthesis and function. A naturally occurring furocoumarin compound found in several species of plants, including Psoralea corylifolia. It is a photoactive substance that forms DNA ADDUCTS in the presence of ultraviolet A irradiation. See also: Angelica archangelica root (part of); Ammi majus seed (part of); Angelica keiskei top (part of) ... View More ... Methoxsalen, also known as oxsoralen or 8-methoxypsoralen, belongs to the class of organic compounds known as 8-methoxypsoralens. These are psoralens containing a methoxy group attached at the C8 position of the psoralen group. Methoxsalen is a drug which is used for the treatment of psoriasis and vitiligo. Methoxsalen is a bitter tasting compound. Methoxsalen is found, on average, in the highest concentration within a few different foods, such as parsnips, parsley, and celery stalks and in a lower concentration in wild carrots, carrots, and fennels. Methoxsalen has also been detected, but not quantified, in several different foods, such as figs, green vegetables, corianders, dills, and fruits. Methoxsalen is a potentially toxic compound. A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. Present in celery, especies the outer leaves, and other common grocery vegetables. Implicated in photodermatitis among grocery workers. Isolated from Aegle marmelos (bael) D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AD - Psoralens for topical use 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 C1420 - Photosensitizing Agent D003879 - Dermatologic Agents [Raw Data] CBA87_Xanthotoxin_pos_20eV.txt [Raw Data] CBA87_Xanthotoxin_pos_30eV.txt [Raw Data] CBA87_Xanthotoxin_pos_40eV.txt [Raw Data] CBA87_Xanthotoxin_pos_10eV.txt [Raw Data] CBA87_Xanthotoxin_pos_50eV.txt Methoxsalen (8-Methoxypsoralen) is a furanocoumarin compound used in psoralen, used in studies of psoriasis, eczema, vitiligo and some sun-exposed cutaneous lymphomas, and is a P450 inhibitor. Methoxsalen (8-Methoxypsoralen) is a furanocoumarin compound used in psoralen, used in studies of psoriasis, eczema, vitiligo and some sun-exposed cutaneous lymphomas, and is a P450 inhibitor.

   

Sphondin

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-

C12H8O4 (216.0423)


Sphondin is a member of the class of compounds known as angular furanocoumarins. Angular furanocoumarins are furanocoumarins, with a structure characterized by a furan ring angularly fused to a coumarin. Sphondin is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Sphondin can be found in parsnip, which makes sphondin a potential biomarker for the consumption of this food product. Sphondin is a non-carcinogenic (not listed by IARC) potentially toxic compound. The furocoumarin 8-methoxypsoralen is carcinogenic to humans, and possibly 5-methoxypsoralen as well (L135). There is some evidence from mouse studies that other furocoumarins are carcinogenic when combined with exposure to UVA radiation (A15105). The SKLM regards the additional risk of skin cancer arising from the consumption of typical quantities of furocoumarin-containing foods, which remain significantly below the range of phototoxic doses, as insignificant. However, the consumption of phototoxic quantities cannot be ruled out for certain foods, particularly celery and parsnips, that may lead to significant increases in furocoumarin concentrations, depending on the storage, processing and production conditions (L2157) Furocoumarin photochemotherapy is known to induce a number of side-effects including erythema, edema, hyperpigmentation, and premature aging of skin. All photobiological effects of furocoumarins result from their photochemical reactions. Because many dietary or water soluble furocoumarins are strong inhibitors of cytochrome P450s, they will also cause adverse drug reactions when taken with other drugs. Cause of phototoxicity in patient with vitiligo (L579) (T3DB). Sphondin is a furanocoumarin. Sphondin is a natural product found in Heracleum lehmannianum, Heracleum asperum, and other organisms with data available. A furanocoumarin derivative isolated from Heracleum laciniatum (L579). Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. Sphondin possesses an inhibitory effect on IL-1β-induced increase in the level of COX-2 protein and PGE2 release in A549 cells[1]. Sphondin possesses an inhibitory effect on IL-1β-induced increase in the level of COX-2 protein and PGE2 release in A549 cells[1].

   

2-C-methyl-D-erythritol-4-phosphate

[(2R,3S)-2,3,4-trihydroxy-3-methylbutoxy]phosphonic acid

C5H13O7P (216.0399)


2-c-methyl-d-erythritol-4-phosphate is a member of the class of compounds known as monoalkyl phosphates. Monoalkyl phosphates are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. 2-c-methyl-d-erythritol-4-phosphate is soluble (in water) and a moderately acidic compound (based on its pKa). 2-c-methyl-d-erythritol-4-phosphate can be found in a number of food items such as tea, narrowleaf cattail, chickpea, and rocket salad (sspecies), which makes 2-c-methyl-d-erythritol-4-phosphate a potential biomarker for the consumption of these food products.

   

Norvisnagin

5H-Furo[3,2-g][1]benzopyran-5-one, 4-hydroxy-7-methyl-

C12H8O4 (216.0423)


   

(4-Carbamimidoylphenyl)methanesulfonyl fluoride

(4-Carbamimidoylphenyl)methanesulphonyl fluoride

C8H9FN2O2S (216.0369)


   

Sodium ferulate

Sodium 4-[(1Z)-2-carboxyeth-1-en-1-yl]-2-methoxybenzen-1-olic acid

C10H9NaO4 (216.0399)


Flavouring ingredient with a sweet clovery, phenolic odour. Sodium ferulate (SF), the sodium salt of ferulic acid, is a drug used in traditional Chinese medicine for treatment of cardiovascular and cerebrovascular diseases and to prevent thrombosis. It is found in the root of Angelica sinensis. It is considered safe and effective. Flavouring ingredient with a sweet clovery, phenolic odour

   

Sodium_ferulate

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, monosodium salt

C10H9O4Na (216.0399)


Sodium ferulate is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ferulic acid by a sodium ion. It has a role as a plant metabolite, an antioxidant, a MALDI matrix material, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It contains a ferulate. An organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ferulic acid by a sodium ion. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Ferulic acid sodium is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid sodium is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.

   

Bauerine A

7-chloro-9-mehtyl-beta-carboline

C12H9ClN2 (216.0454)


   

2,6-Naphthalenedicarboxylic acid

2,6-Naphthalenedicarboxylic acid

C12H8O4 (216.0423)


   

3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide

3-(1,3-Benzodioxol-5-yl)-2-cyanoacrylamide

C11H8N2O3 (216.0535)


   

1,4-Azulenedicarboxylic acid

1,4-Azulenedicarboxylic acid

C12H8O4 (216.0423)


   

NSC292153

NSC292153

C12H8O4 (216.0423)


   

Paracotoin

Paracotoin

C12H8O4 (216.0423)


   

(5,8-dioxonaphthalen-1-yl) acetate

(5,8-dioxonaphthalen-1-yl) acetate

C12H8O4 (216.0423)


   
   

1-benzoyluracil

1-benzoyluracil

C11H8N2O3 (216.0535)


   

8-methoxy-8H-furo[2,3-h]-1-benzopyran-2-one

8-methoxy-8H-furo[2,3-h]-1-benzopyran-2-one

C12H8O4 (216.0423)


   

4-Methoxypsoralen|5-methoxypsoralen|bergapten

4-Methoxypsoralen|5-methoxypsoralen|bergapten

C12H8O4 (216.0423)


   

Xanthotoxin

9-methoxy-7H-furo[3,2-g]chromen-7-one

C12H8O4 (216.0423)


   

3-Methoxy-2H-furo[2,3-h][1]benzopyran-2-one

3-Methoxy-2H-furo[2,3-h][1]benzopyran-2-one

C12H8O4 (216.0423)


   

3-Benzoyluracil

3-Benzoyluracil

C11H8N2O3 (216.0535)


   

SCHEMBL1301705

SCHEMBL1301705

C12H8O4 (216.0423)


   

1-(4-chloro-3,5-dimethoxyphenyl)ethanol

1-(4-chloro-3,5-dimethoxyphenyl)ethanol

C10H13ClO3 (216.0553)


   

8,9-Dihydroxy-3H-naphtho[2,3-c]furan-1-on|8,9-dihydroxy-3H-naphtho[2,3-c]furan-1-one|Beta-Siorigenin|beta-sorigenin

8,9-Dihydroxy-3H-naphtho[2,3-c]furan-1-on|8,9-dihydroxy-3H-naphtho[2,3-c]furan-1-one|Beta-Siorigenin|beta-sorigenin

C12H8O4 (216.0423)


   

Sodium_ferulate

2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, monosodium salt

C10H9NaO4 (216.0399)


Sodium ferulate is an organic sodium salt resulting from the replacement of the proton from the 3-hydroxy group of ferulic acid by a sodium ion. It has a role as a plant metabolite, an antioxidant, a MALDI matrix material, an anti-inflammatory agent, an apoptosis inhibitor and a cardioprotective agent. It contains a ferulate. D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D005765 - Gastrointestinal Agents > D002756 - Cholagogues and Choleretics D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents D002491 - Central Nervous System Agents > D000700 - Analgesics D000975 - Antioxidants > D016166 - Free Radical Scavengers D006401 - Hematologic Agents > D000925 - Anticoagulants D020011 - Protective Agents > D000975 - Antioxidants D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents Ferulic acid sodium is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively. Ferulic acid sodium is a novel fibroblast growth factor receptor 1 (FGFR1) inhibitor with IC50s of 3.78 and 12.5 μM for FGFR1 and FGFR2, respectively.

   

Xanthotoxin

Xanthotoxin

C12H8O4 (216.0423)


IPB_RECORD: 2821; CONFIDENCE confident structure

   

Bergapten

Bergapten

C12H8O4 (216.0423)


D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.998 D000893 - Anti-Inflammatory Agents D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.995 Acquisition and generation of the data is financially supported by the Max-Planck-Society IPB_RECORD: 2841; CONFIDENCE confident structure Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms. Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms.

   

Methoxsalen

8-Methoxypsoralen

C12H8O4 (216.0423)


D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AD - Psoralens for topical use 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 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.910 C1420 - Photosensitizing Agent D003879 - Dermatologic Agents relative retention time with respect to 9-anthracene Carboxylic Acid is 0.909 Methoxsalen (8-Methoxypsoralen) is a furanocoumarin compound used in psoralen, used in studies of psoriasis, eczema, vitiligo and some sun-exposed cutaneous lymphomas, and is a P450 inhibitor. Methoxsalen (8-Methoxypsoralen) is a furanocoumarin compound used in psoralen, used in studies of psoriasis, eczema, vitiligo and some sun-exposed cutaneous lymphomas, and is a P450 inhibitor.

   

Methoxsalen (Oxsoralen)

Methoxsalen (Oxsoralen)

C12H8O4 (216.0423)


   

9-methoxyfuro[3,2-g]chromen-7-one

NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one

C12H8O4 (216.0423)


   

5-methoxypsoralen

5-methoxypsoralen

C12H8O4 (216.0423)


A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5.

   

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

(4S,5Z,6S)-4-(2-methoxy-2-oxoethyl)-5-[2-[(E)-3-phenylprop-2-enoyl]oxyethylidene]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylic acid

C12H8O4 (216.0423)


   

Sphondin

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-

C12H8O4 (216.0423)


D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Sphondin possesses an inhibitory effect on IL-1β-induced increase in the level of COX-2 protein and PGE2 release in A549 cells[1]. Sphondin possesses an inhibitory effect on IL-1β-induced increase in the level of COX-2 protein and PGE2 release in A549 cells[1].

   

Bergapten/Heraclin

Bergapten/Heraclin

C12H8O4 (216.0423)


CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 10 INTERNAL_ID 10; CONFIDENCE Reference Standard (Level 1)

   

9-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847786]

NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847786]

C12H8O4 (216.0423)


   

9-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]

NCGC00016418-16!9-methoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]

C12H8O4 (216.0423)


   

8-Methoxypsoralen

8-Methoxypsoralen

C12H8O4 (216.0423)


CONFIDENCE standard compound; INTERNAL_ID 1021; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7889; ORIGINAL_PRECURSOR_SCAN_NO 7887 CONFIDENCE standard compound; INTERNAL_ID 1021; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7905; ORIGINAL_PRECURSOR_SCAN_NO 7903 CONFIDENCE standard compound; INTERNAL_ID 1021; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7894; ORIGINAL_PRECURSOR_SCAN_NO 7892 CONFIDENCE standard compound; INTERNAL_ID 1021; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8005; ORIGINAL_PRECURSOR_SCAN_NO 8002 CONFIDENCE standard compound; INTERNAL_ID 1021; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7931; ORIGINAL_PRECURSOR_SCAN_NO 7930 CONFIDENCE standard compound; INTERNAL_ID 1021; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8002; ORIGINAL_PRECURSOR_SCAN_NO 8000

   

Isobergaptene_major

Isobergaptene_major

C12H8O4 (216.0423)


   

Isobergaptene

Isobergaptene

C12H8O4 (216.0423)


   

2,3-NAPHTHALENEDICARBOXYLIC ACID

2,3-NAPHTHALENEDICARBOXYLIC ACID

C12H8O4 (216.0423)


   

2-HYDROXY-4-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID

2-HYDROXY-4-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID

C11H8N2O3 (216.0535)


   

2-oxo-6-(2-pyridinyl)-1,2-dihydro-3-pyridinecarboxylic acid

2-oxo-6-(2-pyridinyl)-1,2-dihydro-3-pyridinecarboxylic acid

C11H8N2O3 (216.0535)


   

1-(2-NAPHTHYL)PIPERAZINE

1-(2-NAPHTHYL)PIPERAZINE

C11H8N2O3 (216.0535)


   

4-methylpiperazine-2-carboxylic acid,dihydrochloride

4-methylpiperazine-2-carboxylic acid,dihydrochloride

C6H14Cl2N2O2 (216.0432)


   

2-[3-(trifluoromethyl)phenyl]propanedial

2-[3-(trifluoromethyl)phenyl]propanedial

C10H7F3O2 (216.0398)


   

4-(TRIFLUOROMETHOXY)CINNAMIC ALDEHYDE

4-(TRIFLUOROMETHOXY)CINNAMIC ALDEHYDE

C10H7F3O2 (216.0398)


   

Methyl 3-borono-2,6-difluorobenzoate

Methyl 3-borono-2,6-difluorobenzoate

C8H7BF2O4 (216.0405)


   

4-(1H-Benzimidazol-2-yl)-1,3-thiazol-2-amine

4-(1H-Benzimidazol-2-yl)-1,3-thiazol-2-amine

C10H8N4S (216.047)


   

N-(2-Nitrophenyl)phosphoric triamide

N-(2-Nitrophenyl)phosphoric triamide

C6H9N4O3P (216.0412)


   

1-(5-chloro-2,3-dimethoxyphenyl)ethanol

1-(5-chloro-2,3-dimethoxyphenyl)ethanol

C10H13ClO3 (216.0553)


   

2,6-Difluoro-3-(2-pyridinyl)benzonitrile

2,6-Difluoro-3-(2-pyridinyl)benzonitrile

C12H6F2N2 (216.0499)


   

5-benzylidene-1,3-diazinane-2,4,6-trione

5-benzylidene-1,3-diazinane-2,4,6-trione

C11H8N2O3 (216.0535)


   

(+)-camphanic acid chloride

(+)-camphanic acid chloride

C10H13ClO3 (216.0553)


   

4-methyl-5-nitropyridine-2-carboximidamide,hydrochloride

4-methyl-5-nitropyridine-2-carboximidamide,hydrochloride

C7H9ClN4O2 (216.0414)


   

6-methyl-5-nitropyridine-2-carboximidamide,hydrochloride

6-methyl-5-nitropyridine-2-carboximidamide,hydrochloride

C7H9ClN4O2 (216.0414)


   

1-Benzoyl-3,3,3-trifluoroacetone

4,4,4-Trifluoro-1-phenyl-1,3-butanedione

C10H7F3O2 (216.0398)


   

2-[4-(trifluoromethyl)phenyl]propanedial

2-[4-(trifluoromethyl)phenyl]propanedial

C10H7F3O2 (216.0398)


   

8-methylsulfanyl-4-oxo-1H-quinoline-3-carbonitrile

8-methylsulfanyl-4-oxo-1H-quinoline-3-carbonitrile

C11H8N2OS (216.0357)


   

5-(Chloromethyl)-1,2,3-trimethoxybenzene

5-(Chloromethyl)-1,2,3-trimethoxybenzene

C10H13ClO3 (216.0553)


   

1,4-Naphthalenedicarboxylic acid

1,4-Naphthalenedicarboxylic acid

C12H8O4 (216.0423)


   

4-(2-Hydroxyethyl)phenyl Methanesulfonate

4-(2-Hydroxyethyl)phenyl Methanesulfonate

C9H12O4S (216.0456)


   

3-(4-Nitrophenoxy)pyridine

3-(4-Nitrophenoxy)pyridine

C11H8N2O3 (216.0535)


   

2-(4-METHYLPHENYLTHIO)ACETAMIDINE HYDROCHLORIDE

2-(4-METHYLPHENYLTHIO)ACETAMIDINE HYDROCHLORIDE

C9H13ClN2S (216.0488)


   

4-(2-PYRIMIDINYLOXY)BENZENECARBOXYLIC ACID

4-(2-PYRIMIDINYLOXY)BENZENECARBOXYLIC ACID

C11H8N2O3 (216.0535)


   

2-METHYL-7-OXO-4,7-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]-PYRIMIDINE-6-CARBOXYLIC ACID

2-METHYL-7-OXO-4,7-DIHYDRO-[1,2,4]TRIAZOLO[1,5-A]-PYRIMIDINE-6-CARBOXYLIC ACID

C11H8N2O3 (216.0535)


   

3-(Trifluoromethyl)cinnamic acid

(2E)-3-[3-(Trifluoromethyl)phenyl]acrylic acid

C10H7F3O2 (216.0398)


   

2-Chloro-5,6-dihydrobenzo[h]quinazoline

2-Chloro-5,6-dihydrobenzo[h]quinazoline

C12H9ClN2 (216.0454)


   

6-(THIOPHEN-2-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE

6-(THIOPHEN-2-YL)-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-AMINE

C10H8N4S (216.047)


   

3,4-Difluoro-5-(methoxycarbonyl)phenylboronic acid

3,4-Difluoro-5-(methoxycarbonyl)phenylboronic acid

C8H7BF2O4 (216.0405)


   

N-METHYL-N-[(4-METHYL-4H-THIENO[3,2-B]PYRROL-5-YL)METHYL]AMINE HYDROCHLORIDE

N-METHYL-N-[(4-METHYL-4H-THIENO[3,2-B]PYRROL-5-YL)METHYL]AMINE HYDROCHLORIDE

C9H13ClN2S (216.0488)


   

2-(3-NITROPHENOXY)PYRIDINE 97+

2-(3-NITROPHENOXY)PYRIDINE 97+

C11H8N2O3 (216.0535)


   

1-BROMO-4-(TERT-BUTYL)CYCLOHEX-1-ENE

1-BROMO-4-(TERT-BUTYL)CYCLOHEX-1-ENE

C10H17Br (216.0514)


   

7-(trifluoromethyl)chroman-4-one

7-(trifluoromethyl)chroman-4-one

C10H7F3O2 (216.0398)


   

ETHYL 2-FLUOROISOBUTYRATE

ETHYL 2-FLUOROISOBUTYRATE

C11H8N2O3 (216.0535)


   

4-(5-Chloro-3-fluoro-2-pyridinyl)morpholine

4-(5-Chloro-3-fluoro-2-pyridinyl)morpholine

C9H10ClFN2O (216.0466)


   

Thiazolo[5,4-h]isoquinoline-2,5-diamine (9CI)

Thiazolo[5,4-h]isoquinoline-2,5-diamine (9CI)

C10H8N4S (216.047)


   

3-(4-NITROPHENYL)PYRIDIN-2(1H)-ONE

3-(4-NITROPHENYL)PYRIDIN-2(1H)-ONE

C11H8N2O3 (216.0535)


   

2-mercapto-7-methoxy-quinoline-3-carbonitrile

2-mercapto-7-methoxy-quinoline-3-carbonitrile

C11H8N2OS (216.0357)


   

4-Chloro-2,6-dimethoxyphenylboronic acid

4-Chloro-2,6-dimethoxyphenylboronic acid

C8H10BClO4 (216.0361)


   

Bis-(chloromethyl)-mesitylene

Bis-(chloromethyl)-mesitylene

C11H14Cl2 (216.0473)


   

5-isocyanato-4-methyl-2-phenyl-1,3-thiazole

5-isocyanato-4-methyl-2-phenyl-1,3-thiazole

C11H8N2OS (216.0357)


   

(1S)-(-)-Camphanic chloride

(1S)-(-)-Camphanic chloride

C10H13ClO3 (216.0553)


   

6-Methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazole

6-Methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazole

C9H7F3N2O (216.051)


   

1-(4-NITROPHENYL)-1H-PYRIDIN-2-ONE

1-(4-NITROPHENYL)-1H-PYRIDIN-2-ONE

C11H8N2O3 (216.0535)


   

(R)-Methyl piperazine-2-carboxylate dihydrochloride

(R)-Methyl piperazine-2-carboxylate dihydrochloride

C6H14Cl2N2O2 (216.0432)


   

formaldehyde, polymer with (chloromethyl)oxirane and phenol

formaldehyde, polymer with (chloromethyl)oxirane and phenol

C10H13ClO3 (216.0553)


   

5-benzoylfuran-2-carboxylic acid

5-benzoylfuran-2-carboxylic acid

C12H8O4 (216.0423)


   

2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine

2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine

C10H8N4S (216.047)


   

3-Chloro-2-(methoxymethoxy)phenylboronic acid

3-Chloro-2-(methoxymethoxy)phenylboronic acid

C8H10BClO4 (216.0361)


   

4,6-Dihydroxy-7-methoxy-3-quinolinecarbonitrile

4,6-Dihydroxy-7-methoxy-3-quinolinecarbonitrile

C11H8N2O3 (216.0535)


   

Dipyridin-2-yl carbonate

Dipyridin-2-yl carbonate

C11H8N2O3 (216.0535)


   

4,6-dimethoxy-2-(methylsulfonyl)pyrimidine

4,6-dimethoxy-2-(methylsulfonyl)pyrimidine

C9H12O4S (216.0456)


   

Methyl 2-piperazinecarboxylate dihydrochloride

Methyl 2-piperazinecarboxylate dihydrochloride

C6H14Cl2N2O2 (216.0432)


   

2-(trifluoromethyl)cinnamic acid

2-(trifluoromethyl)cinnamic acid

C10H7F3O2 (216.0398)


   

4-(4-isocyanatophenyl)-2-methyl-1,3-thiazole

4-(4-isocyanatophenyl)-2-methyl-1,3-thiazole

C11H8N2OS (216.0357)


   

7-METHYL-1-(PROP-2-YNYL)-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE

7-METHYL-1-(PROP-2-YNYL)-1H-PYRIDO[2,3-D][1,3]OXAZINE-2,4-DIONE

C11H8N2O3 (216.0535)


   

7-Hydroxy-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

7-Hydroxy-8-methoxy-4-oxo-1,4-dihydro-3-quinolinecarbonitrile

C11H8N2O3 (216.0535)


   

4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl alcohol

4-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzyl alcohol

C9H7F3N2O (216.051)


   

1-(3-NITRO-PHENYL)-1H-PYRROLE-2-CARBALDEHYDE

1-(3-NITRO-PHENYL)-1H-PYRROLE-2-CARBALDEHYDE

C11H8N2O3 (216.0535)


   

2,7-Naphthalenedicarboxylic acid

2,7-Naphthalenedicarboxylic acid

C12H8O4 (216.0423)


   

4-Oxo-1-phenyl-1,4-dihydro-3-pyridazinecarboxylic acid

4-Oxo-1-phenyl-1,4-dihydro-3-pyridazinecarboxylic acid

C11H8N2O3 (216.0535)


   

(2E)-3-[4-(Trifluoromethoxy)phenyl]acrylaldehyde

(2E)-3-[4-(Trifluoromethoxy)phenyl]acrylaldehyde

C10H7F3O2 (216.0398)


   

α-Chloro-2,3,4-trimethoxytoluene

α-Chloro-2,3,4-trimethoxytoluene

C10H13ClO3 (216.0553)


   

Geranyl bromide

Geranyl bromide

C10H17Br (216.0514)


   

2,3-Dihydroxynaphthalene-1,4-dicarbaldehyde

2,3-Dihydroxynaphthalene-1,4-dicarbaldehyde

C12H8O4 (216.0423)


   

2-methoxyethyl benzenesulfonate

2-methoxyethyl benzenesulfonate

C9H12O4S (216.0456)


   

3-(E)-(TRIFLUOROMETHYL)CINNAMIC ACID

3-(E)-(TRIFLUOROMETHYL)CINNAMIC ACID

C10H7F3O2 (216.0398)


   

1-(4-nitrophenyl)pyrrole-2-carbaldehyde

1-(4-nitrophenyl)pyrrole-2-carbaldehyde

C11H8N2O3 (216.0535)


   

NAPHTHO[1,8-DE:4,5-DE]BIS([1,3]DIOXINE)

NAPHTHO[1,8-DE:4,5-DE]BIS([1,3]DIOXINE)

C12H8O4 (216.0423)


   

4-(5-formylfuran-2-yl)benzoic acid

4-(5-formylfuran-2-yl)benzoic acid

C12H8O4 (216.0423)


   

magnesium,3-methanidylheptane,bromide

magnesium,3-methanidylheptane,bromide

C8H17BrMg (216.0364)


   

4-Hydroxy-2-phenyl-5-pyrimidinecarboxylic acid

4-Hydroxy-2-phenyl-5-pyrimidinecarboxylic acid

C11H8N2O3 (216.0535)


   

N-methyl-[1]benzothiolo[3,2-d]triazin-4-amine

N-methyl-[1]benzothiolo[3,2-d]triazin-4-amine

C10H8N4S (216.047)


   

5-BENZO[B]THIOPHEN-3-YLMETHYL-2H-TETRAZOLE

5-BENZO[B]THIOPHEN-3-YLMETHYL-2H-TETRAZOLE

C10H8N4S (216.047)


   

2-(Chloromethyl)-1,3,5-trimethoxybenzene

2-(Chloromethyl)-1,3,5-trimethoxybenzene

C10H13ClO3 (216.0553)


   

5-CHLORO-2-(METHOXYMETHOXY)PHENYLBORONIC ACID

5-CHLORO-2-(METHOXYMETHOXY)PHENYLBORONIC ACID

C8H10BClO4 (216.0361)


   

1-(1,3-thiazol-2-yl)benzimidazol-2-amine

1-(1,3-thiazol-2-yl)benzimidazol-2-amine

C10H8N4S (216.047)


   

Bromo(octyl)magnesium

Bromo(octyl)magnesium

C8H17BrMg (216.0364)


   

4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole

4-(3-isocyanatophenyl)-2-methyl-1,3-thiazole

C11H8N2OS (216.0357)


   
   

4-benzofuran-2-yl-1,3-thiazol-2-amine

4-benzofuran-2-yl-1,3-thiazol-2-amine

C11H8N2OS (216.0357)


   

(3,5-Difluoro-4-(Methoxycarbonyl)phenyl)boronic acid

(3,5-Difluoro-4-(Methoxycarbonyl)phenyl)boronic acid

C8H7BF2O4 (216.0405)


   

3-Acetylthio-1-(1,3-thiazolin-2-yl)azetidine

3-Acetylthio-1-(1,3-thiazolin-2-yl)azetidine

C8H12N2OS2 (216.0391)


   

2-(5-formylfuran-2-yl)benzoic acid

2-(5-formylfuran-2-yl)benzoic acid

C12H8O4 (216.0423)


   

Isopropylphenyl phosphate

Isopropylphenyl phosphate

C9H13O4P (216.0551)


   

calcium di-beta-alaninate

calcium di-beta-alaninate

C6H12CaN2O4 (216.0423)


   

3-nitro-6-phenyl-1H-pyridin-2-one

3-nitro-6-phenyl-1H-pyridin-2-one

C11H8N2O3 (216.0535)


   

5-METHYL-3-PHENYL-4-ISOXAZOLYL ISOTHIOCYANATE

5-METHYL-3-PHENYL-4-ISOXAZOLYL ISOTHIOCYANATE

C11H8N2OS (216.0357)


   

4-aminopiperidine-4-carboxylic acid,dihydrochloride

4-aminopiperidine-4-carboxylic acid,dihydrochloride

C6H14Cl2N2O2 (216.0432)


   

4-ChlorphenylMethylDimethoxysilane

4-ChlorphenylMethylDimethoxysilane

C9H13ClO2Si (216.0373)


   

SODIUM ISOFERULATE

SODIUM ISOFERULATE

C10H9NaO4 (216.0399)


   

2-Chloro-6-(MethoxyMethoxy)phenylboronic acid

2-Chloro-6-(MethoxyMethoxy)phenylboronic acid

C8H10BClO4 (216.0361)


   

1-[5-(TERT-BUTYL)-3-CHLORO-2-THIENYL]ETHAN-1-ONE

1-[5-(TERT-BUTYL)-3-CHLORO-2-THIENYL]ETHAN-1-ONE

C10H13ClOS (216.0376)


   

4-(4-nitrophenoxy)pyridine

4-(4-nitrophenoxy)pyridine

C11H8N2O3 (216.0535)


   

5-(2-amino-6-methylpyrimidin-4-yl)thiophene-2-carbonitrile

5-(2-amino-6-methylpyrimidin-4-yl)thiophene-2-carbonitrile

C10H8N4S (216.047)


   

1,8-Naphthalenedicarboxylicacid

1,8-Naphthalenedicarboxylicacid

C12H8O4 (216.0423)


   

3-(3-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-3H-DIAZIRINE

3-(3-METHOXYPHENYL)-3-(TRIFLUOROMETHYL)-3H-DIAZIRINE

C9H7F3N2O (216.051)


   

4-(Trifluoromethyl)cinnamic acid

4-(Trifluoromethyl)cinnamic acid

C10H7F3O2 (216.0398)


   

1-(2-cyanoethyl)-3-(trifluoromethyl)-2(1h)-pyridone

3-(2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile

C9H7F3N2O (216.051)


   

1-(2-cyanoethyl)-5-(trifluoromethyl)-2(1h)-pyridone

1-(2-cyanoethyl)-5-(trifluoromethyl)-2(1h)-pyridone

C9H7F3N2O (216.051)


   

5-Isoxazolepropionic acid,3-methoxy-4-nitro- (1CI)

5-Isoxazolepropionic acid,3-methoxy-4-nitro- (1CI)

C7H8N2O6 (216.0382)


   

bis(methylcyclopentadienyl)nickel

bis(methylcyclopentadienyl)nickel

C12H14Ni (216.0449)


   

2-METHYL-5-TRIFLUOROMETHOXYBENZIMIDAZOLE

2-METHYL-5-TRIFLUOROMETHOXYBENZIMIDAZOLE

C9H7F3N2O (216.051)


   

1,10-Phenanthroline monohydrochloride

1,10-Phenanthroline monohydrochloride

C12H9ClN2 (216.0454)


   

2-(hydroxymethyl)-5-trifluoromethyl-1H-benzoimidazole

2-(hydroxymethyl)-5-trifluoromethyl-1H-benzoimidazole

C9H7F3N2O (216.051)


   

5-(3-METHYLBENZO[B]THIOPHEN-2-YL)-1H-TETRAZOLE

5-(3-METHYLBENZO[B]THIOPHEN-2-YL)-1H-TETRAZOLE

C10H8N4S (216.047)


   

6-chloro-5-nitro-N-propylpyrimidin-4-amine

6-chloro-5-nitro-N-propylpyrimidin-4-amine

C7H9ClN4O2 (216.0414)


   

6-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine

6-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine

C7H9ClN4O2 (216.0414)


   

2-hydroxyethyl 4-methylbenzenesulfonate

2-hydroxyethyl 4-methylbenzenesulfonate

C9H12O4S (216.0456)


   

1-(3-(TRIFLUOROMETHYL)PHENYL)PROPANE-1,2-DIONE

1-(3-(TRIFLUOROMETHYL)PHENYL)PROPANE-1,2-DIONE

C10H7F3O2 (216.0398)


   

1-[4-(trifluoromethyl)phenyl]propane-1,2-dione

1-[4-(trifluoromethyl)phenyl]propane-1,2-dione

C10H7F3O2 (216.0398)


   

3-Fluoro-2-methoxy-5-(methylthio)benzeneboronic acid

3-Fluoro-2-methoxy-5-(methylthio)benzeneboronic acid

C8H10BFO3S (216.0428)


   

8-(trifluoromethyl)chroman-4-one

8-(trifluoromethyl)chroman-4-one

C10H7F3O2 (216.0398)


   

5-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one

5-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one

C12H8O4 (216.0423)


   

1-Hydroxy-pentane-3,4-diol-5-phosphate

1-Hydroxy-pentane-3,4-diol-5-phosphate

C5H13O7P (216.0399)


   

Aminohippurate sodium

Sodium [(4-aminobenzoyl)amino]acetate

C9H9N2NaO3 (216.0511)


D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents

   

5-Mop

InChI=1\C12H8O4\c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9\h2-6H,1H

C12H8O4 (216.0423)


D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins D000893 - Anti-Inflammatory Agents D003879 - Dermatologic Agents Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms. Bergapten is a natural anti-inflammatory and anti-tumor agent. Bergapten is inhibitory towards mouse and human CYP isoforms.

   

Uvadex

5-Benzofuranacrylic acid, 6-hydroxy-7-methoxy-, .delta.-lactone

C12H8O4 (216.0423)


D - Dermatologicals > D05 - Antipsoriatics > D05B - Antipsoriatics for systemic use > D05BA - Psoralens for systemic use D - Dermatologicals > D05 - Antipsoriatics > D05A - Antipsoriatics for topical use > D05AD - Psoralens for topical use 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 C1420 - Photosensitizing Agent D003879 - Dermatologic Agents Methoxsalen (8-Methoxypsoralen) is a furanocoumarin compound used in psoralen, used in studies of psoriasis, eczema, vitiligo and some sun-exposed cutaneous lymphomas, and is a P450 inhibitor. Methoxsalen (8-Methoxypsoralen) is a furanocoumarin compound used in psoralen, used in studies of psoriasis, eczema, vitiligo and some sun-exposed cutaneous lymphomas, and is a P450 inhibitor.

   

Isobergapten

2H-Furo[2,3-h]-1-benzopyran-2-one, 5-methoxy-

C12H8O4 (216.0423)


Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1]. Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1].

   

2-[(2-Methylthio)butyl]maleate

2-[(2-Methylthio)butyl]maleate

C9H12O4S-2 (216.0456)


   

2-(2-Azaniumyl-3,3-dihydroxypropyl)selanylethylazanium

2-(2-Azaniumyl-3,3-dihydroxypropyl)selanylethylazanium

C5H16N2O2Se+2 (216.0377)


   

2,2,3-Trihydroxydiphenyl ether(2-)

2,2,3-Trihydroxydiphenyl ether(2-)

C12H8O4-2 (216.0423)


   

4-Isopropylphenyl hydrogen sulfate

4-Isopropylphenyl hydrogen sulfate

C9H12O4S (216.0456)


   

(3-Phenylpropoxy)sulfonic acid

(3-Phenylpropoxy)sulfonic acid

C9H12O4S (216.0456)


   

(E)-1-Trimethylgermyl-2-trimethylsilylethylene

(E)-1-Trimethylgermyl-2-trimethylsilylethylene

C8H20GeSi (216.0555)


   

Isobergapten

5-BENZOFURANACRYLIC ACID, 4-HYDROXY-6-METHOXY-, .DELTA.-LACTONE

C12H8O4 (216.0423)


Isobergapten is a furanocoumarin. Isobergapten is a natural product found in Dorstenia psilurus, Saposhnikovia divaricata, and other organisms with data available. Isobergapten is a furocoumarin. Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1]. Isobergapten is an allelopathic inhibitor isolated from seeds of Hevacleum laciniatum[1].

   

Sfondin

2H-Furo(2,3-h)-1-benzopyran-2-one, 6-methoxy-

C12H8O4 (216.0423)


Sphondin is a furanocoumarin. Sphondin is a natural product found in Heracleum lehmannianum, Heracleum asperum, and other organisms with data available. A furanocoumarin derivative isolated from Heracleum laciniatum (L579). Furocoumarins, are phototoxic and photocarcinogenic. They intercalate DNA and photochemically induce mutations. Furocoumarins are botanical phytoalexins found to varying extents in a variety of vegetables and fruits, notably citrus fruits. The levels of furocoumarins present in our diets, while normally well below that causing evident acute phototoxicity, do cause pharmacologically relevant drug interactions. Some are particularly active against cytochrome P450s. For example, in humans, bergamottin and dihydroxybergamottin are responsible for the grapefruit juice effect, in which these furanocoumarins affect the metabolism of certain drugs. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Sphondin possesses an inhibitory effect on IL-1β-induced increase in the level of COX-2 protein and PGE2 release in A549 cells[1]. Sphondin possesses an inhibitory effect on IL-1β-induced increase in the level of COX-2 protein and PGE2 release in A549 cells[1].

   

MEP

2-C-methyl-D-erythritol 4-(dihydrogen phosphate)

C5H13O7P (216.0399)


   

2,2,3-Trihydroxydiphenyl ether(2-)

2,2,3-Trihydroxydiphenyl ether(2-)

C12H8O4 (216.0423)


A phenolate anion obtained by selective deprotonation of the 2- and 2-hydroxy groups of 2,2,3-trihydroxydiphenyl ether. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

3-Diazoavenalumate

3-Diazoavenalumate

C11H8N2O3 (216.0535)


   

6-methoxyfuro[3,2-g]chromen-7-one

6-methoxyfuro[3,2-g]chromen-7-one

C12H8O4 (216.0423)


   

azulene-1,4-dicarboxylic acid

azulene-1,4-dicarboxylic acid

C12H8O4 (216.0423)


   

(1r,2s)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol

(1r,2s)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol

C10H13ClO3 (216.0553)


   

8,9-dihydroxy-3h-naphtho[2,3-c]furan-1-one

8,9-dihydroxy-3h-naphtho[2,3-c]furan-1-one

C12H8O4 (216.0423)


   

6-chloro-2-methylpyrido[3,4-b]indole

6-chloro-2-methylpyrido[3,4-b]indole

C12H9ClN2 (216.0454)


   

3-methoxyfuro[2,3-h]chromen-2-one

3-methoxyfuro[2,3-h]chromen-2-one

C12H8O4 (216.0423)


   

5-methoxyfuro[2,3-f]chromen-7-one

5-methoxyfuro[2,3-f]chromen-7-one

C12H8O4 (216.0423)


   

4-methoxyfuro[2,3-b]chromen-7-one

4-methoxyfuro[2,3-b]chromen-7-one

C12H8O4 (216.0423)


   

1-(3-chloro-4-methoxyphenyl)propane-1,2-diol

1-(3-chloro-4-methoxyphenyl)propane-1,2-diol

C10H13ClO3 (216.0553)


   

7-chloro-9-methylpyrido[3,4-b]indole

7-chloro-9-methylpyrido[3,4-b]indole

C12H9ClN2 (216.0454)