General Information of the Compound
Compound ID |
CP0392285
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
[(3S,5R,8R,9R,10R,12R,13S,14R,17S)-12,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H40O4
|
||||||||||||||||||
Molecular Weight |
392.58
|
||||||||||||||||||
Canonical SMILES |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](O)CC[C@@]32C)C1(C)C
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H40O4/c1-14(25)28-19-9-10-22(4)17(21(19,2)3)8-12-23(5)18(22)13-16(27)20-15(26)7-11-24(20,23)6/h15-20,26-27H,7-13H2,1-6H3/t15-,16+,17-,18+,19-,20-,22-,23+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
XATLHNQIRONEBQ-AIPFBEDTSA-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: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT01108, 11-beta-hydroxysteroid dehydrogenase type 2