General Information of the Compound
| Compound ID |
CP0532504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,3aS,6aR)-3a-benzyl-5-hexyl-4-phenyl-2,3,6,6a-tetrahydro-1H-pentalen-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34O
|
||||||||||||||||||
| Molecular Weight |
374.568
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@]2(Cc3ccccc3)CC[C@@H](O)[C@@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34O/c1-2-3-4-9-16-23-19-24-25(28)17-18-27(24,20-21-12-7-5-8-13-21)26(23)22-14-10-6-11-15-22/h5-8,10-15,24-25,28H,2-4,9,16-20H2,1H3/t24-,25+,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XWRWYXWWPIDXJT-WEWMWRJBSA-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