General Information of the Compound
| Compound ID |
CP0527977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2R,4S,6R,7S,9R,13S,14S,15S,20R)-13-hydroxy-6-(2-hydroxypropan-2-yl)-1,2,9,15,19,19-hexamethyl-18-oxo-5-oxapentacyclo[12.8.0.02,11.04,10.015,20]docos-10-en-7-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H50O6
|
||||||||||||||||||
| Molecular Weight |
530.746
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1C[C@H](OC(C)=O)[C@@H](O[C@H]2C[C@@]3(C)C(C[C@H](O)[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]34C)=C12)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H50O6/c1-17-14-21(37-18(2)33)27(29(5,6)36)38-22-16-32(9)19(25(17)22)15-20(34)26-30(7)12-11-24(35)28(3,4)23(30)10-13-31(26,32)8/h17,20-23,26-27,34,36H,10-16H2,1-9H3/t17-,20+,21+,22+,23+,26+,27-,30+,31+,32+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJQGTCCCAJRIPR-XKFNBYHKSA-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