General Information of the Compound
| Compound ID |
CP0502798
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,10aR)-3-[1-(1,2-cis-Hexen-1-yl)-cyclopent-1-yl]-6,6a,7,8,10,10a-hexahydro-1-hydroxy-6,6-dimethyl-9H-dibenzo[b,d]pyran-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H36O3
|
||||||||||||||||||
| Molecular Weight |
396.571
|
||||||||||||||||||
| Canonical SMILES |
CCCC\C=C/C1(CCCC1)c1cc(O)c2[C@@H]3CC(=O)CC[C@H]3C(C)(C)Oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H36O3/c1-4-5-6-7-12-26(13-8-9-14-26)18-15-22(28)24-20-17-19(27)10-11-21(20)25(2,3)29-23(24)16-18/h7,12,15-16,20-21,28H,4-6,8-11,13-14,17H2,1-3H3/b12-7-/t20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ILUXBVCBNGUPEC-WLEBJDBUSA-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