General Information of the Compound
| Compound ID |
CP0532019
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2R,4R,5R,6S,7R,8R,9R,12R)-4,5,12-triacetyloxy-8-hexanoyloxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
Show/Hide
|
||||||||||||||||||
| Formula |
C34H46O11
|
||||||||||||||||||
| Molecular Weight |
630.731
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC(=O)O[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@H](C)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)[C@H]1OC(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H46O11/c1-9-10-12-17-25(38)43-27-26-29(42-22(5)37)34(45-32(26,6)7)19(2)18-24(40-20(3)35)28(41-21(4)36)33(34,8)30(27)44-31(39)23-15-13-11-14-16-23/h11,13-16,19,24,26-30H,9-10,12,17-18H2,1-8H3/t19-,24-,26-,27-,28+,29-,30+,33+,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBQDHGCEGZUGCK-GYKXWWKQSA-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 | |||||||||||||||||||
| 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