General Information of the Compound
| Compound ID |
CP0959166
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(2,5-dimethyl-phenyl)-propenone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16O3
|
||||||||||||||||||
| Molecular Weight |
268.312
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(C)c(C(=O)/C=C/c2ccc(O)c(O)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16O3/c1-11-3-4-12(2)14(9-11)15(18)7-5-13-6-8-16(19)17(20)10-13/h3-10,19-20H,1-2H3/b7-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOXVMIIDYPVTNI-FNORWQNLSA-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