General Information of the Compound
| Compound ID |
CP0444504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,8R,11S,13R)-5-benzoyl-8,14,14-trimethyl-3,3-bis(3-methylbut-2-enyl)-7-oxatetracyclo[9.2.1.01,6.08,13]tetradec-5-ene-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H40O4
|
||||||||||||||||||
| Molecular Weight |
500.679
|
||||||||||||||||||
| Canonical SMILES |
CC(C)=CCC1(CC=C(C)C)C(=O)C(C(=O)c2ccccc2)=C2O[C@]3(C)CC[C@H]4C[C@@H]3[C@]2(C1=O)C4(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H40O4/c1-20(2)13-17-32(18-14-21(3)4)27(35)25(26(34)22-11-9-8-10-12-22)28-33(29(32)36)24-19-23(30(33,5)6)15-16-31(24,7)37-28/h8-14,23-24H,15-19H2,1-7H3/t23-,24-,31+,33-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PCGZKMMONATZSY-PXJLLHMESA-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