Detailed information for compound 557460

Basic information

Technical information
  • TDR Targets ID: 557460
  • Name: 2,3-bis[(4-hydroxy-3-methoxy-phenyl)methyl]bu tane-1,4-diol
  • MW: 362.417 | Formula: C20H26O6
  • H donors: 4 H acceptors: 4 LogP: 2.52 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(C(Cc1ccc(c(c1)OC)O)CO)Cc1ccc(c(c1)OC)O
  • InChi: 1S/C20H26O6/c1-25-19-9-13(3-5-17(19)23)7-15(11-21)16(12-22)8-14-4-6-18(24)20(10-14)26-2/h3-6,9-10,15-16,21-24H,7-8,11-12H2,1-2H3
  • InChiKey: PUETUDUXMCLALY-UHFFFAOYSA-N  

Network

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Synonyms

  • 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butane-1,4-diol
  • 2,3-divanillylbutane-1,4-diol
  • secoisolariciresinol
  • 2,3-bis(4-hydroxy-3-methoxy-benzyl)butane-1,4-diol
  • MEGxp0_000477
  • ACon1_000226
  • 1,4-Butanediol, 2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]-, [R-(R*,R*)]-

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
Trichomonas vaginalis serine threonine-protein kinase, putative 0.011 0.1502 0.2721
Loa Loa (eye worm) glutaminase 0.0286 0.5315 1
Plasmodium falciparum glutathione reductase 0.0046 0.0113 1
Mycobacterium tuberculosis Probable reductase 0.0106 0.1403 0.1336
Schistosoma mansoni hypothetical protein 0.0166 0.2714 0.5107
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0111 0.1525 0.1989
Brugia malayi glutaminase DH11.1 0.0286 0.5315 0.5315
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0045 0.0077 0.0144
Onchocerca volvulus 0.0058 0.0359 0.5
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0045 0.0077 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0045 0.0077 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0106 0.1403 0.1336
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0113 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0631 0.1188
Mycobacterium ulcerans glutaminase 0.0286 0.5315 0.5278
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0502 1 1
Entamoeba histolytica protein kinase, putative 0.0217 0.3808 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.1517 0.2854
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0106 0.1403 0.1336
Plasmodium falciparum thioredoxin reductase 0.0046 0.0113 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0113 0.0147
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0113 0.0036
Echinococcus granulosus geminin 0.0166 0.2714 0.3539
Echinococcus multilocularis jumonji domain containing protein 0.0047 0.0134 0.0175
Echinococcus multilocularis tumor protein p63 0.0395 0.7668 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0106 0.1403 0.1336
Brugia malayi jmjC domain containing protein 0.0111 0.1525 0.1525
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0118 0.1659 0.1594
Schistosoma mansoni jumonji domain containing protein 0.0089 0.1028 0.1934
Brugia malayi Thioredoxin reductase 0.0046 0.0113 0.0113
Loa Loa (eye worm) glutaminase 2 0.0286 0.5315 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0113 1
Echinococcus granulosus Aminotransferase class III 0.0045 0.0077 0.01
Mycobacterium ulcerans L-lysine aminotransferase 0.0502 1 1
Brugia malayi glutathione reductase 0.0046 0.0113 0.0113
Echinococcus multilocularis Aminotransferase class III 0.0045 0.0077 0.01
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0217 0.3808 0.4966
Plasmodium vivax glutathione reductase, putative 0.0046 0.0113 1
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0359 0.0676
Loa Loa (eye worm) IRE protein kinase 0.0217 0.3808 0.7165
Trichomonas vaginalis conserved hypothetical protein 0.011 0.1502 0.2721
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0106 0.1403 0.1336
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0106 0.1403 0.838
Toxoplasma gondii thioredoxin reductase 0.0046 0.0113 1
Echinococcus multilocularis ornithine aminotransferase 0.0045 0.0077 0.01
Echinococcus granulosus ornithine aminotransferase 0.0045 0.0077 0.01
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0113 0.0147
Schistosoma mansoni hypothetical protein 0.0166 0.2714 0.5107
Brugia malayi Ribonuclease 2-5A family protein 0.0217 0.3808 0.3808
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0111 0.1525 0.1989
Echinococcus granulosus tumor protein p63 0.0395 0.7668 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0118 0.1659 0.1594
Echinococcus granulosus jumonji domain containing protein 0.0047 0.0134 0.0175
Loa Loa (eye worm) hypothetical protein 0.0058 0.0359 0.0676
Trichomonas vaginalis glutaminase, putative 0.0286 0.5315 1
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0113 0.0212
Entamoeba histolytica protein kinase, putative 0.0217 0.3808 0.5
Leishmania major trypanothione reductase 0.0046 0.0113 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0106 0.1403 0.1336
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0118 0.1659 1
Echinococcus multilocularis geminin 0.0166 0.2714 0.3539
Loa Loa (eye worm) glutathione reductase 0.0046 0.0113 0.0212
Mycobacterium tuberculosis Probable oxidoreductase 0.0118 0.1659 0.1594
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0217 0.3808 0.4966
Trypanosoma brucei trypanothione reductase 0.0046 0.0113 0.5
Echinococcus multilocularis ornithine aminotransferase 0.0045 0.0077 0.01
Loa Loa (eye worm) hypothetical protein 0.0058 0.0372 0.0701
Schistosoma mansoni glutaminase 0.0286 0.5315 1

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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