General Information of the Compound
| Compound ID |
CP0877427
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
pladienolide F
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H48O8
|
||||||||||||||||||
| Molecular Weight |
512.684
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@@](C)(O)/C=C/C=C(\C)[C@H]1OC(=O)C[C@H](O)CC[C@@](C)(O)[C@@H](O)CC[C@@H]1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H48O8/c1-7-21(30)19(4)26-22(35-26)16-27(5,33)13-8-9-17(2)25-18(3)10-11-23(31)28(6,34)14-12-20(29)15-24(32)36-25/h8-9,13,18-23,25-26,29-31,33-34H,7,10-12,14-16H2,1-6H3/b13-8+,17-9+/t18-,19+,20+,21-,22+,23-,25+,26+,27-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMKIZJXZYGEZGV-BLMDLEJQSA-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