General Information of the Compound
| Compound ID |
CP0416393
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2R,3R)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3-methoxybenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30O9
|
||||||||||||||||||
| Molecular Weight |
510.539
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)C(=O)O[C@@H]1Cc2c(OC)cc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30O9/c1-30-18-9-7-8-16(10-18)28(29)37-25-15-20-21(32-3)13-19(31-2)14-22(20)36-26(25)17-11-23(33-4)27(35-6)24(12-17)34-5/h7-14,25-26H,15H2,1-6H3/t25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQUQGNHHKBQNRX-CLJLJLNGSA-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