General Information of the Compound
| Compound ID |
CP0540905
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4'R,5R,8S,9S,10S,14R,17S)-4,4,4',8,10,14-hexamethylspiro[1,2,5,6,7,9,15,16-octahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2',3,11-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36O4
|
||||||||||||||||||
| Molecular Weight |
412.57
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CC(=O)O[C@@]11CC[C@@]2(C)C1=CC(=O)[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36O4/c1-15-13-20(29)30-26(15)12-11-24(5)18(26)14-16(27)21-23(4)9-8-19(28)22(2,3)17(23)7-10-25(21,24)6/h14-15,17,21H,7-13H2,1-6H3/t15-,17+,21+,23+,24+,25+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUVXZFRJBJGPCX-CVLYPPSVSA-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