General Information of the Compound
| Compound ID |
CP0861414
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3aR,5R,7aS)-5-(4-Hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H20O2
|
||||||||||||||||||
| Molecular Weight |
244.334
|
||||||||||||||||||
| Canonical SMILES |
C[C@]12CC[C@@H](c3ccc(O)cc3)C[C@H]1CCC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H20O2/c1-16-9-8-12(10-13(16)4-7-15(16)18)11-2-5-14(17)6-3-11/h2-3,5-6,12-13,17H,4,7-10H2,1H3/t12-,13-,16+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQXOEKVDLFCWTB-IOASZLSFSA-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: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta