General Information of the Compound
| Compound ID |
CP0428831
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1'S,2R,2'S,6'R,9'R)-9'-[4-(dimethylamino)phenyl]-6'-methyl-3-methylidene-8'-oxaspiro[oxolane-2,5'-tetracyclo[8.8.0.0^{2,6}.0^{11,16}]octadecane]-10',15'-dien-14'-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37NO3
|
||||||||||||||||||
| Molecular Weight |
459.63
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1ccc(cc1)[C@H]1OC[C@@]2(C)[C@@H](CC[C@]22OCCC2=C)[C@@H]2CCC3=CC(=O)CCC3=C12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37NO3/c1-19-14-16-34-30(19)15-13-26-25-11-7-21-17-23(32)10-12-24(21)27(25)28(33-18-29(26,30)2)20-5-8-22(9-6-20)31(3)4/h5-6,8-9,17,25-26,28H,1,7,10-16,18H2,2-4H3/t25-,26-,28+,29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CEDQCHHKNHJFKO-WWHWENCNSA-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: PT00967, Glucocorticoid receptor
Protein ID: PT01172, Progesterone receptor