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
1
(Kd <100 nM)
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)
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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