General Information of the Compound
| Compound ID |
CP0455377
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Benzo[1,3]dioxol-5-yl-4-(4-hydroxy-butyl)-6-isopropoxy-2H-chromene-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26O7
|
||||||||||||||||||
| Molecular Weight |
426.465
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccc2OC(C(C(O)=O)=C(CCCCO)c2c1)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26O7/c1-14(2)30-16-7-9-19-18(12-16)17(5-3-4-10-25)22(24(26)27)23(31-19)15-6-8-20-21(11-15)29-13-28-20/h6-9,11-12,14,23,25H,3-5,10,13H2,1-2H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHMWKDMFWGUKEK-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