General Information of the Compound
| Compound ID |
CP0404199
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3E,4R)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-[tert-butyl(dimethyl)silyl]oxyoxolan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H44O5Si
|
||||||||||||||||||
| Molecular Weight |
464.719
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)[Si](C)(C)O[C@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H44O5Si/c1-17-9-12-21-25(5,14-13-22(28)26(21,6)16-27)19(17)11-10-18-20(15-30-23(18)29)31-32(7,8)24(2,3)4/h10,19-22,27-28H,1,9,11-16H2,2-8H3/b18-10+/t19-,20+,21+,22-,25+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QEKAKJCLAFAJTF-KWRCNFKHSA-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