General Information of the Compound
| Compound ID |
CP0110602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R,2R,4aS,5R,8aS)-5-[(2E)-2-[(4S)-4-acetyloxy-2-oxooxolan-3-ylidene]ethyl]-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H48O7Si
|
||||||||||||||||||
| Molecular Weight |
548.793
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@@H]1COC(=O)\C1=C\C[C@@H]1C(=C)CC[C@@H]2[C@](C)(CO[Si](C)(C)C(C)(C)C)[C@@H](CC[C@@]12C)OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H48O7Si/c1-19-11-14-25-29(7,23(19)13-12-22-24(36-20(2)31)17-34-27(22)33)16-15-26(37-21(3)32)30(25,8)18-35-38(9,10)28(4,5)6/h12,23-26H,1,11,13-18H2,2-10H3/b22-12+/t23-,24-,25+,26-,29+,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TYSIIYDVTAHYDU-HMPHPEQUSA-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
Protein ID: PT01503, Signal transducer and activator of transcription 3