General Information of the Compound
| Compound ID |
CP0404402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H54O4
|
||||||||||||||||||
| Molecular Weight |
502.78
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)COc1c(C)c(C)c2OC(C)(CCCC(C)CCCC(C)CCCC(C)C)CCc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H54O4/c1-22(2)13-10-14-23(3)15-11-16-24(4)17-12-19-32(8)20-18-28-27(7)30(35-21-29(33)34-9)25(5)26(6)31(28)36-32/h22-24H,10-21H2,1-9H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSJTVVGTMDAIPO-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