General Information of the Compound
| Compound ID |
CP0006184
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
Show/Hide
|
||||||||||||||||||
| Synonyms |
2,3,7,8-Tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione
476-66-4
Acide ellagique
Acide ellagique [INN-French]
Acido elagico
Acido elagico [INN-Spanish]
Acidum ellagicum
Acidum ellagicum [INN-Latin]
Alizarine Yellow
Benzoaric acid
C.I. 55005
C.I. 75270
C14H6O8
CCRIS 774
EINECS 207-508-3
ELLAGIC ACID
Elagostasine
Eleagic acid
Ellagate
Ellagic acid [INN:DCF]
Ellagic acid dihydrate
Gallogen (VAN)
Gallogen (astringent)
Gallogen, astringent
Lagistase
Llagic acid
MLS000069632
NSC 40728
NSC407286
UNII-19YRN3ZS9P
ellagic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H6O8
|
||||||||||||||||||
| Molecular Weight |
302.194
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show/Hide
|
||||||||||||||||||
| 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
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFSDNFLWKVMVRB-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
476-66-4
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
| DrugBank ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00883, Angiopoietin-1 receptor
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01223, Aurora kinase B
Protein ID: PT01028, Ephrin type-B receptor 4
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01141, Focal adhesion kinase 1
Protein ID: PT03308, G-protein coupled receptor 35
Protein ID: PT06109, Geminin
Protein ID: PT01201, Hepatocyte growth factor receptor
Protein ID: PT01101, Insulin receptor
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT01476, Mitogen-activated protein kinase kinase kinase 8
Protein ID: PT01874, NUAK family SNF1-like kinase 1
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT04812, Polypeptide N-acetylgalactosaminyltransferase 2
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT00845, RAC-alpha serine/threonine-protein kinase
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Protein ID: PT01381, Serine/threonine-protein kinase B-raf
Protein ID: PT01252, Serine/threonine-protein kinase PLK1
Protein ID: PT01100, Serine/threonine-protein kinase PLK4
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Protein ID: PT00925, Vascular endothelial growth factor receptor 3
Clinical Information about the Compound
Drug 1 ( ELLAGIC ACID )
| Drug Name | ELLAGIC ACID | ||
|---|---|---|---|
| Target(s) | |||