General Information of the Compound
| Compound ID |
CP0468652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3aR,6aR)-5-hexyl-3a-[1-(2-methylphenyl)ethenyl]-4-phenyl-2,3,6,6a-tetrahydro-1H-pentalen-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36O
|
||||||||||||||||||
| Molecular Weight |
400.606
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36O/c1-4-5-6-8-16-24-20-26-27(30)18-19-29(26,28(24)23-14-9-7-10-15-23)22(3)25-17-12-11-13-21(25)2/h7,9-15,17,26-27,30H,3-6,8,16,18-20H2,1-2H3/t26-,27+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKZNZBVXJRGZCF-GKRYNVPLSA-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