Chemical Formula: C13H10O5

Chemical Formula C13H10O5

Found 53 metabolite its formula value is C13H10O5

Isopimpinellin

InChI=1/C13H10O5/c1-15-10-7-3-4-9(14)18-12(7)13(16-2)11-8(10)5-6-17-11/h3-6H,1-2H3

C13H10O5 (246.052821)


Isopimpinellin is a member of psoralens. Isopimpinellin is a natural product found in Zanthoxylum mayu, Zanthoxylum ovalifolium, and other organisms with data available. Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. See also: Angelica keiskei top (part of). Present in the seeds of Pastinaca sativa (parsnip). Isopimpinellin is found in many foods, some of which are carrot, anise, celery stalks, and fennel. Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].

   

Pimpinellidine

2H-Furo(2,3-h)-1-benzopyran-2-one, 5,6-dimethoxy-

C13H10O5 (246.052821)


Pimpinellin is a furanocoumarin. Pimpinellin is a natural product found in Dorstenia psilurus, Clausena anisata, and other organisms with data available. Pimpinellin 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. Aglycone from hydrolysis of leaves and stems of Lycopersicon pimpinellifolium (currant tomato). Pimpinellidine is found in garden tomato. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1]. Pimpinellin is a constituent of Cyrtomium fortumei (J.). Pimpinellin inhibits the growth of tumor cells via the induction of tumor cell apoptosis[1].

   

2,3,4,6-Tetrahydroxybenzophenone

2,3,4,6-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   

Coriandrone C

7-Hydroxymethyl-4-methoxy-5H-furo[2,3-g][2]benzopyran-5-one

C13H10O5 (246.052821)


Constituent of Coriandrum sativum (coriander). Coriandrone C is found in coriander and herbs and spices. Coriandrone C is found in coriander. Coriandrone C is a constituent of Coriandrum sativum (coriander).

   

2,2',4,4'-Tetrahydroxybenzophenone

4-(2,4-dihydroxybenzoyl)benzene-1,3-diol

C13H10O5 (246.052821)


   

Hispidin

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2H-pyran-2-one

C13H10O5 (246.052821)


   

Iriflophenone

2-(4-hydroxybenzoyl)benzene-1,3,5-triol

C13H10O5 (246.052821)


Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2]. Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2].

   
   

6-methoxysorigenin

6-methoxysorigenin

C13H10O5 (246.052821)


   
   

2,2,4,4-Tetrahydroxybenzophenone

2,2`,4,4`-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3571; ORIGINAL_PRECURSOR_SCAN_NO 3569 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3562; ORIGINAL_PRECURSOR_SCAN_NO 3559 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3550; ORIGINAL_PRECURSOR_SCAN_NO 3546 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3558; ORIGINAL_PRECURSOR_SCAN_NO 3554 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3569; ORIGINAL_PRECURSOR_SCAN_NO 3564 CONFIDENCE standard compound; INTERNAL_ID 1000; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3561; ORIGINAL_PRECURSOR_SCAN_NO 3557 CONFIDENCE standard compound; INTERNAL_ID 8331

   

SCHEMBL22156268

SCHEMBL22156268

C13H10O5 (246.052821)


   

2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether

2,4-Dihydroxy-5-carboxy-dibenyl ether|2,4-dihydroxy-5-carboxydiphenyl ether

C13H10O5 (246.052821)


   
   
   

Monosporascol A

Monosporascol A

C13H10O5 (246.052821)


   

Iriflophenone

Benzophenone, 2,4,4,6-tetrahydroxy- (6CI); (4-Hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone; 2,4,6,4-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


Iriflophenone is a natural product found in Iris potaninii, Aquilaria sinensis, and Iris domestica with data available. D007155 - Immunologic Factors > D000373 - Agglutinins > D037121 - Plant Lectins D007155 - Immunologic Factors > D000373 - Agglutinins > D037102 - Lectins Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2]. Iriflophenone, isolated from Aquilaria sinensis, stimulates MCF-7 and T-47D human breast cancer cells proliferation[1][2].

   
   

3,8-dimethoxyfuro[3,2-g]coumarin

3,8-dimethoxyfuro[3,2-g]coumarin

C13H10O5 (246.052821)


   

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone

6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone

C13H10O5 (246.052821)


   
   
   

O1C(=O)C=CC2=C1C=C1OC(OC)=C(OC)C1=C2

O1C(=O)C=CC2=C1C=C1OC(OC)=C(OC)C1=C2

C13H10O5 (246.052821)


   
   

3,6-dimethoxyangelicin

3,6-dimethoxyangelicin

C13H10O5 (246.052821)


   
   
   

methyl 7-formyl-2,5-dihydro-5-oxo-1-benzoxepine-3-carboxylate

methyl 7-formyl-2,5-dihydro-5-oxo-1-benzoxepine-3-carboxylate

C13H10O5 (246.052821)


   
   
   

5,8-dimethoxypsoralen|isopimpinellin|isopinpinellin

5,8-dimethoxypsoralen|isopimpinellin|isopinpinellin

C13H10O5 (246.052821)


   

1-Benzoyl-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one

1-Benzoyl-3-Hydroxy-2-(hydroxymethyl)-4H-Pyran-4-one

C13H10O5 (246.052821)


   

Benzophenone-2

Benzophenone-2

C13H10O5 (246.052821)


CONFIDENCE Reference Standard (Level 1)

   

5,6-dimethoxyfuro[2,3-h]chromen-2-one

NCGC00095242-05!5,6-dimethoxyfuro[2,3-h]chromen-2-one

C13H10O5 (246.052821)


   

4,9-dimethoxyfuro[3,2-g]chromen-7-one

NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one

C13H10O5 (246.052821)


   

(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

NCGC00385363-01!(3-hydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone

C13H10O5 (246.052821)


   

Isopimpinellin

Isopimpinellin

C13H10O5 (246.052821)


Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].

   
   

4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]

NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based: Match]

C13H10O5 (246.052821)


   

4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]

NCGC00095569-05!4,9-dimethoxyfuro[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847638]

C13H10O5 (246.052821)


   

2,3,4,6-Tetrahydroxybenzophenone_major

2,3,4,6-Tetrahydroxybenzophenone_major

C13H10O5 (246.052821)


   

Pimpinellin_major

Pimpinellin_major

C13H10O5 (246.052821)


   

Coriandrone C

7-Hydroxymethyl-4-methoxy-5H-furo[2,3-g][2]benzopyran-5-one

C13H10O5 (246.052821)


   

HISPIDIN

HISPIDIN

C13H10O5 (246.052821)


Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). Hispidin, a PKC inhibitor and a phenolic compound from Phellinus linteus, has been shown to possess strong anti-oxidant, anti-cancer, anti-diabetic, and anti-dementia properties[1].

   

5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid

5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid

C13H10O5 (246.052821)


   

2,3,4,4-Tetrahydroxybenzophenone

2,3,4,4-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   

3-Benzyloxy-4-oxo-4H-pyran-2-carboxylic acid

3-Benzyloxy-4-oxo-4H-pyran-2-carboxylic acid

C13H10O5 (246.052821)


   

4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid

4-oxo-5-(phenylmethoxy)-4H-Pyran-2-carboxylic acid

C13H10O5 (246.052821)


   

3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one

3,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2H-pyran-2-one

C13H10O5 (246.052821)


   

Isopimpinellin

7H-Furo(3,2-g)(1)benzopyran-7-one, 4,9-dimethoxy- (8CI)(9CI)

C13H10O5 (246.052821)


Isopimpinellin is found in angelica. Isopimpinellin is present in the seeds of Pastinaca sativa (parsnip) Isopimpinellin belongs to the family of Furanocoumarins. These are polycyclic aromatic compounds containing a furan ring fused to a coumarin moeity. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1]. Isopimpinellin, an orally active compound isolated from Glomerella cingulata. Isopimpinellin blocks DNA adduct formation and skin tumor initiation by 7,12-dimethylbenz[a]anthracene. Isopimpinellin possesses anti-leishmania effect[1].

   

2,3',4,6-Tetrahydroxybenzophenone

2,3',4,6-Tetrahydroxybenzophenone

C13H10O5 (246.052821)


   

Tetrahydroxybenzophenone

Tetrahydroxybenzophenone

C13H10O5 (246.052821)