Ellagic acid - Small Molecule (ID:10410-101)
HMS LINCS ID: | 10410-101 |
Name: | Ellagic acid |
Alternative Names: | Gallogen; Lagistase |
LINCS ID: | |
PubChem CID: | 5281855 |
ChEBI ID: | |
ChEMBL ID: | |
Molecular Mass: | 302.01 |
InChi: | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H |
InChi Key: | AFSDNFLWKVMVRB-UHFFFAOYSA-N |
SMILES: | C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O |
Relevant Citations: | |
Comments: | |
Date Publicly Available: | |
Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)Target Affinity Spectrum Value | HUGO Gene Name |
---|---|
CSNK2A1, TDP1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | Akr1b1, AKR1B1, SRC, TPT1 |
3 (equivalent to 1µM ≤ Kd < 10 µM) | BACE1, CA12, CA13, CA14, CA4, CA5A, CA6, CA7, DUSP3, Fgr, GSK3B, Lyn, PRKACA, PRKACB, PRKACG, Sqle, Syk |
10 (confirmed non-binding) |
Batch Information for HMSL10410-101-1:
HMS LINCS Batch ID: | 10410-101-1 |
Provider: | MedChem Express |
Provider Batch ID: | 13283 |
Salt: | 101 |
Molecular Formula: | C14H6O8 |
Molecular Weight: | 302.19 |
Purity: | |
Purification Method: | |
Chemical Synthesis Reference: | |
Comments: | |
Date Publicly Available: | 2015-08-27 |
Most Recent Update: | 2016-04-04 |
HMS QC Testing Events for HMSL10410-101-1:
Date | HMS QC Outcome | Comment | Files |
---|---|---|---|
08/31/2015 | PASS | HMSL10410-101-1_NMR.pdf, HMSL10410-101-1_LCMS.pdf |
(Kd <100 nM)