Detailed information for compound 1686587

Basic information

Technical information
  • TDR Targets ID: 1686587
  • Name: (6aS,11bR)-10-methoxy-7,11b-dihydro-6H-indeno [2,1-c]chromene-3,6a,9-triol
  • MW: 300.306 | Formula: C17H16O5
  • H donors: 3 H acceptors: 3 LogP: 1.88 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1O)C[C@@]1([C@H]2c2ccc(cc2OC1)O)O
  • InChi: 1S/C17H16O5/c1-21-15-6-12-9(4-13(15)19)7-17(20)8-22-14-5-10(18)2-3-11(14)16(12)17/h2-6,16,18-20H,7-8H2,1H3/t16-,17+/m0/s1
  • InChiKey: JQAUIXHZBLPCQH-DLBZAZTESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) hypothetical protein 0.0041 0.1059 0.1012
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Loa Loa (eye worm) ACC-1 protein 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0219 1 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.1571 0.1571
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.008 0.3017 0.2826
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.008 0.3017 0.3017
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0043 0.1173 0.1803
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Onchocerca volvulus 0.008 0.3017 0.2357
Echinococcus granulosus muscleblind protein 0.0149 0.6499 0.6499
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.3017 0.2826
Loa Loa (eye worm) neuronal acetylcholine receptor protein 0.0037 0.0864 0.0815
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Schistosoma mansoni neurotransmitter gated ion channel 0.0037 0.0864 0.1327
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Echinococcus granulosus glycine receptor subunit beta 0.008 0.3017 0.3017
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0219 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.2009 0.2009
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.3017 0.2826
Echinococcus granulosus gamma aminobutyric acid receptor subunit 0.0037 0.0864 0.0864
Brugia malayi MAP kinase sur-1 0.0051 0.1571 0.134
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0037 0.0864 0.0864
Loa Loa (eye worm) LGC-31 protein 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Echinococcus multilocularis muscleblind protein 0.0149 0.6499 0.6499
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Schistosoma mansoni nAChR subunit 0.0037 0.0864 0.1327
Loa Loa (eye worm) acetylcholine receptor protein 0.0037 0.0864 0.0815
Onchocerca volvulus 0.0149 0.6509 0.6179
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.008 0.3017 0.3017
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.2009 0.2009
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Brugia malayi hypothetical protein 0.0037 0.0864 0.0613
Echinococcus granulosus nAChR subunit 0.0043 0.1173 0.1173
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0037 0.0864 0.0613
Loa Loa (eye worm) ACC-1 protein 0.008 0.3017 0.298
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.008 0.3017 0.2826
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1571 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.6499 0.648
Brugia malayi Cation transporter family protein 0.0149 0.6509 0.6413
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Echinococcus multilocularis glycine receptor subunit beta 0.008 0.3017 0.3017
Schistosoma mansoni hypothetical protein 0.0021 0.0053 0.0081
Brugia malayi Muscleblind-like protein 0.0149 0.6499 0.6403
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0219 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1571 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.1571 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.008 0.3017 0.298
Echinococcus multilocularis glycine receptor subunit alpha 1 0.008 0.3017 0.3017
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.008 0.3017 0.3017
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.3017 0.2826
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0149 0.6509 1
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.1571 0.1571
Schistosoma mansoni neurotransmitter gated ion channel 0.0037 0.0864 0.1327
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.1571 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.008 0.3017 0.2826
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Onchocerca volvulus 0.0149 0.6509 0.6179
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.008 0.3017 0.2826
Entamoeba histolytica hypothetical protein 0.0043 0.1173 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.4665 0.4636
Brugia malayi excitatory GABA receptor EXP-1A 0.008 0.3017 0.2826
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.1571 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0819 0.0819
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Echinococcus multilocularis nAChR subunit 0.008 0.3017 0.3017
Loa Loa (eye worm) hypothetical protein 0.0219 1 1
Brugia malayi Neuronal acetylcholine receptor protein, alpha-2 chain precursor 0.0037 0.0864 0.0613
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0149 0.6509 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Brugia malayi Acetylcholine receptor protein, alpha-like chain 1 precursor 0.0037 0.0864 0.0613
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0219 1 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.008 0.3017 0.4636
Echinococcus multilocularis glycine receptor subunit alpha 1 0.008 0.3017 0.3017
Brugia malayi hypothetical protein 0.0037 0.0864 0.0613
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0219 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0043 0.1173 0.0931
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1571 0.5
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0043 0.1173 0.0931
Onchocerca volvulus 0.0149 0.6509 0.6179
Echinococcus granulosus glycine receptor subunit alpha 1 0.008 0.3017 0.3017
Echinococcus multilocularis nicotinic acetylcholine receptor subunit type 0.0037 0.0864 0.0864
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Brugia malayi hypothetical protein 0.0037 0.0864 0.0613
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.008 0.3017 0.2826
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1571 0.5
Loa Loa (eye worm) hypothetical protein 0.0149 0.6509 0.649
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0864 0.0613
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0819 0.0819
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0149 0.0149
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.008 0.3017 0.3017
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.008 0.3017 0.2826
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.008 0.3017 0.3017
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0219 1 1
Loa Loa (eye worm) hypothetical protein 0.0149 0.6509 0.649
Echinococcus granulosus nAChR subunit 0.008 0.3017 0.3017
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.3017 0.2826
Echinococcus granulosus glycine receptor subunit alpha 1 0.008 0.3017 0.3017
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Echinococcus granulosus glycine receptor subunit beta 0.008 0.3017 0.3017
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Trypanosoma brucei protein kinase, putative 0.0051 0.1571 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.1571 0.5
Echinococcus multilocularis gamma aminobutyric acid receptor subunit 0.0037 0.0864 0.0864
Brugia malayi Cation transporter family protein 0.008 0.3017 0.2826
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.1571 0.2414
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.1571 0.1526
Brugia malayi hypothetical protein 0.0037 0.0864 0.0613
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Brugia malayi hypothetical protein 0.0037 0.0864 0.0613
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0037 0.0864 0.0864
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.1571 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.1571 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0864 0.0613
Loa Loa (eye worm) hypothetical protein 0.0038 0.0941 0.0893
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Schistosoma mansoni nAChR subunit 0.0037 0.0864 0.1327
Loa Loa (eye worm) GABA receptor subunit 0.0043 0.1173 0.1126
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.1571 0.1571
Loa Loa (eye worm) hypothetical protein 0.0043 0.1155 0.1108
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.008 0.3017 0.4636
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0037 0.0864 0.0613
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.3017 0.2826
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.008 0.3017 0.3017
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Onchocerca volvulus Putative nachr subunit 0.0219 1 1
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0037 0.0864 0.0815
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0219 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Onchocerca volvulus 0.0043 0.1173 0.0339
Echinococcus multilocularis nAChR subunit 0.0043 0.1173 0.1173
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0043 0.1173 0.0931
Echinococcus granulosus glycine receptor subunit alpha 1 0.008 0.3017 0.3017
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.008 0.3017 0.4636
Schistosoma mansoni acetylcholine receptor-related 0.0037 0.0864 0.1327
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0043 0.1173 0.1803
Schistosoma mansoni bromodomain containing protein 0.0063 0.2188 0.3362
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.008 0.3017 0.298
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Echinococcus multilocularis muscleblind protein 1 0.0149 0.6499 0.6499
Loa Loa (eye worm) hypothetical protein 0.007 0.2561 0.2521
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0043 0.1173 0.0931
Brugia malayi Cation transporter family protein 0.008 0.3017 0.2826
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.008 0.3017 0.3017
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.008 0.3017 0.3017
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.1571 0.5
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.008 0.3017 0.2826
Loa Loa (eye worm) hypothetical protein 0.0043 0.1173 0.1126
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.1571 0.1571
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.008 0.3017 0.298
Schistosoma mansoni nAChR subunit 0.008 0.3017 0.4636
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.008 0.3017 0.4636
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.008 0.3017 0.2826
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.008 0.3017 0.3017
Loa Loa (eye worm) hypothetical protein 0.0149 0.6499 0.648
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0149 0.0149
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.008 0.3017 0.2826
Brugia malayi Bromodomain containing protein 0.0075 0.2775 0.2577
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.1571 0.5
Echinococcus multilocularis glycine receptor subunit alpha 1 0.008 0.3017 0.3017
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.008 0.3017 0.2826
Schistosoma mansoni acetylcholine receptor subunit beta 0.0037 0.0864 0.1327
Loa Loa (eye worm) hypothetical protein 0.008 0.3017 0.298
Onchocerca volvulus 0.008 0.3017 0.2357
Schistosoma mansoni neurotransmitter gated ion channel 0.0043 0.1173 0.1803
Loa Loa (eye worm) hypothetical protein 0.0037 0.0864 0.0815
Echinococcus multilocularis glycine receptor subunit beta 0.008 0.3017 0.3017
Onchocerca volvulus 0.0043 0.1173 0.0339
Brugia malayi Bromodomain containing protein 0.0038 0.0937 0.0689
Onchocerca volvulus 0.008 0.3017 0.2357
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.1571 0.5
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0149 0.0228

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 50 uM Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced NO production after 24 hrs by Griess method ChEMBL. 23127886

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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