General Information of the Compound
| Compound ID |
CP0454506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(4-prop-2-enoxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16O5
|
||||||||||||||||||
| Molecular Weight |
312.321
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(O)c(C(=O)\C=C\c2ccc(OCC=C)cc2)c(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16O5/c1-2-9-23-14-6-3-12(4-7-14)5-8-15(20)18-16(21)10-13(19)11-17(18)22/h2-8,10-11,19,21-22H,1,9H2/b8-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTRNHUOLWFFHPQ-VMPITWQZSA-N
|
||||||||||||||||||
| 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 | |||||||||||||||||||
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: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2