General Information of the Compound
| Compound ID |
CP0138942
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4aR,10aR)-4a-Ethyl-2-prop-1-ynyl-1,2,3,4,4a,9,10,10aoctahydrophenanthrene-2,3,7-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24O3
|
||||||||||||||||||
| Molecular Weight |
300.398
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24O3/c1-3-9-19(22)11-14-6-5-13-10-15(20)7-8-16(13)18(14,4-2)12-17(19)21/h7-8,10,14,17,20-22H,4-6,11-12H2,1-2H3/t14-,17+,18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LENKTUVVULSELH-FDPIWHGQSA-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