General Information of the Compound
| Compound ID |
CP0574414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-phenylpropyl (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22O5
|
||||||||||||||||||
| Molecular Weight |
342.391
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)OCCCc2ccccc2)cc(OC)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22O5/c1-23-17-13-16(14-18(24-2)20(17)22)10-11-19(21)25-12-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-11,13-14,22H,6,9,12H2,1-2H3/b11-10+
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAJCFUSNBVSMDV-ZHACJKMWSA-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