General Information of the Compound
| Compound ID |
CP0539493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-cyclopentylideneethyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22O5
|
||||||||||||||||||
| Molecular Weight |
366.413
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)C1CC(=O)c2c(O)c(CC=C3CCCC3)c(O)cc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22O5/c23-15-8-6-14(7-9-15)19-12-18(25)21-20(27-19)11-17(24)16(22(21)26)10-5-13-3-1-2-4-13/h5-9,11,19,23-24,26H,1-4,10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
IALKZQGOEOFEMS-UHFFFAOYSA-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