Detailed information for compound 563981

Basic information

Technical information
  • TDR Targets ID: 563981
  • Name: 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4 R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydropyran-2-yl]chromen-4-one
  • MW: 446.404 | Formula: C22H22O10
  • H donors: 6 H acceptors: 7 LogP: 0.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OC
  • InChi: 1S/C22H22O10/c1-30-10-4-2-9(3-5-10)13-6-11(24)16-14(31-13)7-12(25)17(19(16)27)22-21(29)20(28)18(26)15(8-23)32-22/h2-7,15,18,20-23,25-29H,8H2,1H3/t15-,18-,20+,21-,22+/m1/s1
  • InChiKey: AQHMJUSCGYYXRM-DGHBBABESA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-1-benzopyran-4-one
  • 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
  • 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]chromone
  • isocytisoside
  • 5,7-dihydroxy-2-(4-methoxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-4-chromenone
  • 4328-19-2
  • 6-beta-D-Glucopyranosyl-5,7-dihydroxy-4'-methoxyflavone
  • Flavone, 6-beta-D-glucopyranosyl-5,7-dihydroxy-4'-methoxy-

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0321 0.0691
Brugia malayi RNA, U transporter 1 0.0083 0.0454 0.0686
Onchocerca volvulus 0.0579 0.3832 0.6206
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0088 0.0088
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 0.2008 0.3036
Schistosoma mansoni tyrosine kinase 0.0258 0.1646 0.3547
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0051 0.0239 0.0361
Echinococcus multilocularis protoporphyrinogen oxidase 0.0045 0.0193 0.0193
Loa Loa (eye worm) hypothetical protein 0.0029 0.0088 0.0133
Echinococcus granulosus lysine specific histone demethylase 1A 0.0045 0.0193 0.0193
Schistosoma mansoni tyrosine kinase 0.0255 0.1627 0.3507
Loa Loa (eye worm) hypothetical protein 0.0409 0.267 0.4038
Schistosoma mansoni microtubule-associated protein tau 0.0698 0.4639 1
Brugia malayi TAR-binding protein 0.0063 0.0321 0.0485
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0498 0.3276 0.8334
Entamoeba histolytica hypothetical protein 0.0073 0.0387 1
Brugia malayi Matrixin family protein 0.0409 0.267 0.4038
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0291
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0035 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0588 0.3893 1
Schistosoma mansoni ran 0.0021 0.0035 0.0077
Loa Loa (eye worm) glutaminase 2 0.0276 0.1771 0.2678
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.0387 0.0387
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0291
Trichomonas vaginalis importin beta-1, putative 0.0024 0.005 0.0086
Echinococcus multilocularis 0.0149 0.0901 0.0901
Onchocerca volvulus Matrix metalloproteinase homolog 0.0906 0.6057 1
Schistosoma mansoni hypothetical protein 0.0579 0.3832 0.8261
Plasmodium falciparum protoporphyrinogen oxidase 0.0045 0.0193 1
Brugia malayi hypothetical protein 0.0073 0.0387 0.0585
Echinococcus granulosus insulin receptor 0.0153 0.0934 0.0934
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.0387 0.0833
Schistosoma mansoni tyrosine kinase 0.0153 0.0934 0.2013
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0321 0.0485
Brugia malayi Matrixin family protein 0.0409 0.267 0.4038
Onchocerca volvulus Matrilysin homolog 0.0409 0.267 0.4225
Echinococcus multilocularis epidermal growth factor receptor 0.0258 0.1646 0.1646
Leishmania major UDP-galactopyranose mutase 0.0045 0.0193 1
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0045 0.0193 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0291
Loa Loa (eye worm) hypothetical protein 0.0409 0.267 0.4038
Schistosoma mansoni hypothetical protein 0.0073 0.0387 0.0833
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0321 0.0691
Entamoeba histolytica hypothetical protein 0.0024 0.005 0.0423
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0045 0.0193 0.0415
Schistosoma mansoni hypothetical protein 0.0311 0.2008 0.4329
Loa Loa (eye worm) matrixin family protein 0.0988 0.6613 1
Schistosoma mansoni ran 0.0021 0.0035 0.0077
Loa Loa (eye worm) matrix metalloproteinase 0.0409 0.267 0.4038
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0321 0.0485
Schistosoma mansoni importin beta-1 0.0029 0.0088 0.0189
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0239 0.0361
Onchocerca volvulus 0.0409 0.267 0.4225
Brugia malayi Matrixin family protein 0.0409 0.267 0.4038
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0035 0.0035
Echinococcus granulosus epidermal growth factor receptor 0.0258 0.1646 0.1646
Brugia malayi Matrixin family protein 0.0988 0.6613 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0633 0.4196 1
Mycobacterium leprae PROBABLE HYDROLASE 0.0498 0.3276 1
Echinococcus multilocularis 0.0045 0.0193 0.0193
Trichomonas vaginalis glutaminase, putative 0.0276 0.1771 1
Toxoplasma gondii histone lysine-specific demethylase 0.0045 0.0193 1
Echinococcus granulosus snurportin 1 0.0311 0.2008 0.2008
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0291
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0035 0.0054
Brugia malayi Importin beta-1 subunit 0.0029 0.0088 0.0133
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0321 0.0691
Schistosoma mansoni hypothetical protein 0.0035 0.0128 0.0277
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0321 0.0485
Echinococcus multilocularis insulin receptor 0.0153 0.0934 0.0934
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0321 0.0321
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0153 0.0934 0.0934
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0409 0.267 0.5756
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0498 0.3276 0.4954
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0035 0.0035
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0035 0.0054
Loa Loa (eye worm) hypothetical protein 0.0409 0.267 0.4038
Brugia malayi amine oxidase, flavin-containing family protein 0.0045 0.0193 0.0291
Plasmodium vivax importin-beta 2, putative 0.0029 0.0088 0.3333
Loa Loa (eye worm) TK/INSR protein kinase 0.0153 0.0934 0.1412
Trypanosoma cruzi UDP-galactopyranose mutase 0.0045 0.0193 1
Leishmania major importin beta-1 subunit, putative 0.0024 0.005 0.0945
Echinococcus granulosus importin subunit beta 1 0.0029 0.0088 0.0088
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0153 0.0934 0.0934
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0045 0.0193 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0045 0.0193 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.005 0.0945
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.1486 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.1132 0.1712
Echinococcus granulosus epidermal growth factor receptor 0.048 0.3158 0.3158
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0321 0.0691
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0291
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0321 0.0691
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0193 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0258 0.1646 0.1646
Onchocerca volvulus Matrilysin homolog 0.0906 0.6057 1
Loa Loa (eye worm) matrixin family protein 0.0906 0.6057 0.9159
Brugia malayi SWIRM domain containing protein 0.0045 0.0193 0.0291
Schistosoma mansoni glutaminase 0.0276 0.1771 0.3817
Brugia malayi RNA binding protein 0.0063 0.0321 0.0485
Mycobacterium ulcerans hydrolase 0.0498 0.3276 0.7703
Echinococcus multilocularis snurportin 1 0.0311 0.2008 0.2008
Schistosoma mansoni tyrosine kinase 0.0255 0.1627 0.3507
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0239 0.0361
Chlamydia trachomatis protoporphyrinogen oxidase 0.0045 0.0193 0.5
Mycobacterium ulcerans glutaminase 0.0276 0.1771 0.3942
Schistosoma mansoni tyrosine kinase 0.048 0.3158 0.6807
Echinococcus multilocularis epidermal growth factor receptor 0.048 0.3158 0.3158
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0045 0.0193 0.0193
Entamoeba histolytica hypothetical protein 0.0073 0.0387 1
Brugia malayi glutaminase DH11.1 0.0276 0.1771 0.2678
Loa Loa (eye worm) RNA binding protein 0.0063 0.0321 0.0485
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.005 0.0086
Brugia malayi Hemopexin family protein 0.0579 0.3832 0.5795
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0088 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0183 0.1132 0.1602
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.005 0.0086
Schistosoma mansoni tyrosine kinase 0.0255 0.1627 0.3507
Trypanosoma cruzi UDP-galactopyranose mutase 0.0045 0.0193 1
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0045 0.0193 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0088 1
Schistosoma mansoni tyrosine kinase 0.0153 0.0934 0.2013
Echinococcus granulosus lysine specific histone demethylase 1A 0.0045 0.0193 0.0193
Brugia malayi Furin-like cysteine rich region family protein 0.048 0.3158 0.4775
Echinococcus granulosus microtubule associated protein 2 0.0698 0.4639 0.4639
Brugia malayi hypothetical protein 0.0045 0.0193 0.0291
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0597 0.3954 0.8523
Schistosoma mansoni amine oxidase 0.0045 0.0193 0.0415
Brugia malayi Matrixin family protein 0.0409 0.267 0.4038
Loa Loa (eye worm) glutaminase 0.0276 0.1771 0.2678
Brugia malayi Protein kinase domain containing protein 0.0153 0.0934 0.1412
Brugia malayi N-terminal motif family protein 0.0183 0.1132 0.1712
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0633 0.4196 1
Plasmodium vivax hypothetical protein, conserved 0.0045 0.0193 1
Entamoeba histolytica hypothetical protein 0.0073 0.0387 1
Schistosoma mansoni amine oxidase 0.0045 0.0193 0.0415
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0239 0.0361
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0045 0.0193 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0321 0.0321
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0128 0.0194
Loa Loa (eye worm) hypothetical protein 0.0035 0.0128 0.0194
Echinococcus multilocularis microtubule associated protein 2 0.0698 0.4639 0.4639
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0088 0.3333
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0045 0.0193 0.0415
Loa Loa (eye worm) hypothetical protein 0.0498 0.3276 0.4954
Loa Loa (eye worm) TK/EGFR protein kinase 0.048 0.3158 0.4775
Entamoeba histolytica hypothetical protein 0.0073 0.0387 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0193 0.0291
Schistosoma mansoni tyrosine kinase 0.0258 0.1646 0.3547
Plasmodium falciparum importin beta, putative 0.0029 0.0088 0.3333

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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