General Information of the Compound
| Compound ID |
CP0322908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-hydroxy-5-methyl-phenyl)prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16O4
|
||||||||||||||||||
| Molecular Weight |
296.322
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(O)c(c1)C(=O)\C=C\c1ccc2OCCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16O4/c1-12-2-5-15(19)14(10-12)16(20)6-3-13-4-7-17-18(11-13)22-9-8-21-17/h2-7,10-11,19H,8-9H2,1H3/b6-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTRSQAFGGRNZFJ-ZZXKWVIFSA-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