====== Momordin-Ic 10μM R08 exp506 ======
==== Mechanism of Action ====
Triterpenoid saponin, putative SUMO-specific protease 1 (SENP1) inhibitor
  * **<color #00a2e8>Class / Subclass 1:</color>** Uncharacterized Mechanism / Traditional Medicine
  * **<color #00a2e8>Class / Subclass 2:</color>** Proteostasis / SUMOylation Inhibitor



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Compound References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Momordin Ic%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 96990-18-0
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/176596|176596]]
    * **<color #00a2e8>IUPAC:</color>** %%(2S,3S,4S,5R,6R)-6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50)/t21-,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,33-,34+,38-,39+,40+,41-/m0/s1
    * **<color #00a2e8>INCHI Key:</color>** HWYBGIDROCYPOE-WEAQAMGWSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 764.9
    * **<color #00a2e8>Canonical SMILES:</color>** CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(CO7)O)O)O)O)C)C)C2C1)C)C(=O)O)C
    * **<color #00a2e8>Isomeric SMILES:</color>** C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O
    * **<color #00a2e8>Molecular Formula:</color>** C41H64O13
{{:chemogenomics:structures:chem-0311.svg?nolink}}
</panel>


<panel title='Compound Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals
    * **<color #00a2e8>Catalog #:</color>** M638000
    * **<color #00a2e8>Lot #:</color>** 3-MJJ-12-1
</panel>


<panel title='Compound Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+Na)+ Calcd for C41H64O13 787.42391; found 787.42417
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Momordin_Ic
    * **<color #00a2e8>Min:</color>** -1.9695; **<color #00a2e8>Max:</color>** 99.7054
{{:chemogenomics:dose_response:dr_559.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |6.1700    |
| IC20  |8.2940    |
| IC30  |10.1000    |
| IC40  |11.8600    |
| IC50  |13.7500    |
| IC60  |15.9500    |
| IC70  |18.7300    |
| IC80  |22.8100    |
| IC90  |30.6600    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 08
    * **<color #00a2e8>Dose</color>**: 10µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.0
    * **<color #00a2e8>Numbers of reads</color>**: 17038529


==== Screen Results ====


^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^
|11/1|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Momordin_Ic_10uM_Round-8_exp506.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" size="sm" modal="modal_screen_similarity">View</button>|<button type="primary" size="sm" modal="modal_go_sensitive">View</button>|<button type="primary" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='Momordin-Ic 10μM R08 exp506'>
{{:chemogenomics:cranks_plots:exp506.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:C:CSTB|CSTB]]|-4.47|<0.01|
|[[:human_genes:S:SPTLC1|SPTLC1]]|-3.77|<0.01|
|[[:human_genes:S:SPTLC2|SPTLC2]]|-3.69|<0.01|
|[[:human_genes:F:FDPS|FDPS]]|-3.59|<0.01|
|[[:human_genes:R:RNH1|RNH1]]|-3.36|<0.01|
|[[:human_genes:D:DNAJC13|DNAJC13]]|-3.30|<0.01|
|[[:human_genes:K:KDSR|KDSR]]|-3.17|<0.01|
|[[:human_genes:R:RSRC2|RSRC2]]|-3.10|0.20|
|[[:human_genes:S:SPTSSA|SPTSSA]]|-3.03|<0.01|
|[[:human_genes:T:TCF4|TCF4]]|-3.01|<0.01|
|[[:human_genes:A:ARL1|ARL1]]|-2.79|<0.01|
|[[:human_genes:Y:YLPM1|YLPM1]]|-2.77|0.09|
|[[:human_genes:C:CHMP5|CHMP5]]|-2.64|0.01|
|[[:human_genes:G:GALE|GALE]]|-2.46|0.07|
|[[:human_genes:E:EMC1|EMC1]]|-2.38|0.06|
|[[:human_genes:N:NSFL1C|NSFL1C]]|-2.37|0.06|
|[[:human_genes:C:COL4A3BP|COL4A3BP]]|-2.34|0.07|
|[[:human_genes:F:FKTN|FKTN]]|-2.20|0.13|
|[[:human_genes:H:HSD17B12|HSD17B12]]|-2.19|0.30|
|[[:human_genes:S:SMG8|SMG8]]|-2.14|0.17|
|[[:human_genes:K:KDR|KDR]]|-2.13|0.30|
|[[:human_genes:G:GPR101|GPR101]]|-2.07|0.23|
|[[:human_genes:G:GEMIN4|GEMIN4]]|-2.06|0.30|
|[[:human_genes:G:GPR107|GPR107]]|-2.03|0.28|
|[[:human_genes:S:SHOC2|SHOC2]]|-2.02|0.30|
|[[:human_genes:T:TSSC1|TSSC1]]|-2.00|0.30|
|[[:human_genes:N:NAA20|NAA20]]|-1.98|0.30|
|[[:human_genes:A:ADIPOR1|ADIPOR1]]|-1.97|0.30|
|[[:human_genes:S:SLC11A2|SLC11A2]]|-1.97|0.30|
|[[:human_genes:T:TRIAP1|TRIAP1]]|-1.95|0.50|
|[[:human_genes:A:ADO|ADO]]|1.96|0.50|
|[[:human_genes:G:GOLGA6L1|GOLGA6L1]]|1.97|0.83|
|[[:human_genes:D:DHX8|DHX8]]|1.97|0.72|
|[[:human_genes:S:SLC25A37|SLC25A37]]|1.99|0.50|
|[[:human_genes:M:MMP15|MMP15]]|2.00|0.49|
|[[:human_genes:K:KIAA0195|KIAA0195]]|2.01|0.50|
|[[:human_genes:E:ERAP1|ERAP1]]|2.03|0.50|
|[[:human_genes:C:CREB3L3|CREB3L3]]|2.03|0.44|
|[[:human_genes:N:NARFL|NARFL]]|2.04|0.77|
|[[:human_genes:S:SAMD9L|SAMD9L]]|2.04|0.44|
|[[:human_genes:R:RRS1|RRS1]]|2.05|0.59|
|[[:human_genes:U:UBE4A|UBE4A]]|2.08|0.42|
|[[:human_genes:M:MME|MME]]|2.08|0.42|
|[[:human_genes:K:KCTD2|KCTD2]]|2.08|0.42|
|[[:human_genes:C:C12orf66|C12orf66]]|2.09|0.50|
|[[:human_genes:K:KIAA1239|KIAA1239]]|2.14|0.41|
|[[:human_genes:D:DEPDC5|DEPDC5]]|2.16|0.44|
|[[:human_genes:N:NAA60|NAA60]]|2.16|0.41|
|[[:human_genes:P:POLD2|POLD2]]|2.19|0.53|
|[[:human_genes:I:ITFG2|ITFG2]]|2.21|0.37|
|[[:human_genes:R:RPL36A-HNRNPH2|RPL36A-HNRNPH2]]|2.24|0.80|
|[[:human_genes:P:POLE2|POLE2]]|2.25|0.58|
|[[:human_genes:U:UGGT1|UGGT1]]|2.29|0.27|
|[[:human_genes:N:NXF1|NXF1]]|2.30|0.50|
|[[:human_genes:F:FAU|FAU]]|2.35|0.50|
|[[:human_genes:N:NLK|NLK]]|2.37|0.50|
|[[:human_genes:T:TMEM230|TMEM230]]|2.51|0.23|
|[[:human_genes:N:NPRL2|NPRL2]]|2.67|0.23|
|[[:human_genes:N:NUP88|NUP88]]|2.82|0.08|
|[[:human_genes:N:NPC1|NPC1]]|3.76|<0.01|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp508|NN-Dimethylsphingosine 2.5μM R08 exp508]]|0.064|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp510|Nicotine 3000μM R08 exp510]]|0.062|<button type="primary" size="small" modal="2">View</button>|
|[[:results:exp149|SB203580 25μM R03 exp149]]|0.054|<button type="primary" size="small" modal="3">View</button>|
|[[:results:exp422|Wiskostatin 3μM R07 exp422]]|0.054|<button type="primary" size="small" modal="4">View</button>|
|[[:results:exp233|EPZ-5676 30μM R05 exp233]]|0.071|<button type="primary" size="small" modal="5">View</button>|
|[[:results:exp352|Dexamethasone 0.006 to 0.015μM on day4 R07 exp352]]|0.054|<button type="primary" size="small" modal="6">View</button>|
|[[:results:exp124|GSK343 3μM R03 exp124]]|0.053|<button type="primary" size="small" modal="7">View</button>|
|[[:results:exp433|LJH685 50μM R08 exp433]]|0.051|<button type="primary" size="small" modal="8">View</button>|
|[[:results:exp457|Bisphenol F 50μM R08 exp457]]|0.051|<button type="primary" size="small" modal="9">View</button>|
</modal>


<modal id="1" size="lg" title="Momordin-Ic 10μM R08 exp506  vs  NN-Dimethylsphingosine 2.5μM R08 exp508">
{{:chemogenomics:comparison_plots:exp506_vs_exp508.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Momordin-Ic 10μM R08 exp506  vs  Nicotine 3000μM R08 exp510">
{{:chemogenomics:comparison_plots:exp506_vs_exp510.png?nolink |}}
</modal>

<modal id="3" size="lg" title="Momordin-Ic 10μM R08 exp506  vs  SB203580 25μM R03 exp149">
{{:chemogenomics:comparison_plots:exp149_vs_exp506.png?nolink |}}
</modal>

<modal id="4" size="lg" title="Momordin-Ic 10μM R08 exp506  vs  Wiskostatin 3μM R07 exp422">
{{:chemogenomics:comparison_plots:exp422_vs_exp506.png?nolink |}}
</modal>

<modal id="5" size="lg" title="EPZ-5676 30μM R05 exp233  vs  Momordin-Ic 10μM R08 exp506">
{{:chemogenomics:comparison_plots:exp233_vs_exp506.png?nolink |}}
</modal>

<modal id="6" size="lg" title="Dexamethasone 0.006 to 0.015μM on day4 R07 exp352  vs  Momordin-Ic 10μM R08 exp506">
{{:chemogenomics:comparison_plots:exp352_vs_exp506.png?nolink |}}
</modal>

<modal id="7" size="lg" title="GSK343 3μM R03 exp124  vs  Momordin-Ic 10μM R08 exp506">
{{:chemogenomics:comparison_plots:exp124_vs_exp506.png?nolink |}}
</modal>

<modal id="8" size="lg" title="LJH685 50μM R08 exp433  vs  Momordin-Ic 10μM R08 exp506">
{{:chemogenomics:comparison_plots:exp433_vs_exp506.png?nolink |}}
</modal>

<modal id="9" size="lg" title="Bisphenol F 50μM R08 exp457  vs  Momordin-Ic 10μM R08 exp506">
{{:chemogenomics:comparison_plots:exp457_vs_exp506.png?nolink |}}
</modal>



<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">
^GO Term^Fold Change^Genes^
|sphinganine metabolic process|591.75|SPTLC1,SPTLC2|
|serine C-palmitoyltransferase activity|443.81|SPTLC1,SPTLC2,SPTSSA|
|C-palmitoyltransferase activity|443.81|SPTLC1,SPTLC2,SPTSSA|
|positive regulation of lipophagy|295.88|SPTLC1,SPTLC2|
|regulation of lipophagy|295.88|SPTLC1,SPTLC2|
|serine C-palmitoyltransferase complex|253.61|SPTLC1,SPTLC2,SPTSSA|
|palmitoyltransferase complex|177.53|SPTLC1,SPTLC2,SPTSSA|
|sphingoid biosynthetic process|147.94|SPTLC1,SPTLC2,SPTSSA|
|sphingosine biosynthetic process|147.94|SPTLC1,SPTLC2,SPTSSA|
|sphingoid metabolic process|118.35|SPTLC1,SPTLC2,KDSR,SPTSSA|
|C-acyltransferase activity|98.62|SPTLC1,SPTLC2,SPTSSA|
|sphingosine metabolic process|98.62|SPTLC1,SPTLC2,SPTSSA|
|diol biosynthetic process|93.43|SPTLC1,SPTLC2,SPTSSA|
|diol metabolic process|63.40|SPTLC1,SPTLC2,SPTSSA|
|alcohol biosynthetic process|26.30|SPTLC1,SPTLC2,FDPS,SPTSSA|
|ceramide metabolic process|24.66|SPTLC1,SPTLC2,SPTSSA,CERT1|
|endoplasmic reticulum protein-containing complex|23.86|SPTLC1,SPTLC2,SPTSSA,EMC1,HSD17B12|
|sphingolipid metabolic process|19.09|SPTLC1,SPTLC2,KDSR,SPTSSA,CERT1|
|membrane lipid metabolic process|14.65|SPTLC1,SPTLC2,KDSR,SPTSSA,CERT1|
</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">
^GO Term^Fold Change^Genes^
|negative regulation of TORC1 signaling|67.35|NPC1,NPRL2,NLK,ITFG2,DEPDC5|
|negative regulation of TOR signaling|41.84|NPC1,NPRL2,NLK,ITFG2,DEPDC5|
|regulation of TORC1 signaling|32.11|NPC1,NPRL2,NLK,ITFG2,DEPDC5|
|regulation of TOR signaling|20.46|NPC1,NPRL2,NLK,ITFG2,DEPDC5|
</modal>