General Information of the Compound
| Compound ID |
CP0474011
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 3-phenylmethoxybenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24O5
|
||||||||||||||||||
| Molecular Weight |
404.462
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Oc2cc(OC(=O)c3cccc(OCc4ccccc4)c3)ccc2CC1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24O5/c1-25(2)23(26)14-18-11-12-21(15-22(18)30-25)29-24(27)19-9-6-10-20(13-19)28-16-17-7-4-3-5-8-17/h3-13,15,23,26H,14,16H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZSGVMVIWRAXHPV-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