General Information of the Compound
| Compound ID |
CP0554966
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,3S,4aR,10aR)-3-ethenyl-4a-ethyl-2-phenyl-4,9,10,10a-tetrahydro-1H-phenanthrene-2,3,7-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28O3
|
||||||||||||||||||
| Molecular Weight |
364.485
|
||||||||||||||||||
| Canonical SMILES |
CC[C@@]12C[C@](O)(C=C)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28O3/c1-3-22-16-23(26,4-2)24(27,18-8-6-5-7-9-18)15-19(22)11-10-17-14-20(25)12-13-21(17)22/h4-9,12-14,19,25-27H,2-3,10-11,15-16H2,1H3/t19-,22-,23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKYYWFSCEGWMIP-OTUUDDROSA-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