Exact Mass: 246.0886
Exact Mass Matches: 246.0886
Found 253 metabolites which its exact mass value is equals to given mass value 246.0886,
within given mass tolerance error 0.001 dalton. Try search metabolite list with more accurate mass tolerance error
0.0002 dalton.
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).
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
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.
8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one
(+)-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
6-deoxyhaplopinol|7-[(E)-3-methyl-4-hydroxy-2-butenyloxy]coumarin
4-Hydroxy-2-methoxy-5-(1-oxo-2,4-hexadienyl)-benzaldehyde
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
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
benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate
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
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].
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]
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].
2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyran-4-one
ethyl 4-hydroxy-5-methoxynaphthalene-2-carboxylate
methyl 2-oxo-5-propan-2-ylcyclohepta[b]furan-3-carboxylate
Cyclic (p-methylbenzylidene)malonate2,2-propanediol
[2-(4-METHOXY-PHENYL)-5-OXO-CYCLOPENT-1-ENYL]-ACETIC ACID
3-[5-(4-methoxy-phenyl)-furan-2-yl]-propionic acid
5-(2,5-DIMETHYLPHENOXYMETHYL)FURAN-2-CARBOXYLICACID
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].
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
2-Propan-2-yl-2,3-dihydropyrano[2,3-g][1,4]benzodioxin-7-one
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
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].
(-)-Columbianetin
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
(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
7-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}chromen-2-one
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
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"}
