General Information of the Compound
| Compound ID |
CP0557138
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2S,3S,5R,8R,11R,12S,15R,16R)-16-acetyloxy-5-(furan-3-yl)-12-hydroxy-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadecan-15-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H28O10
|
||||||||||||||||||
| Molecular Weight |
476.478
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@@H]1[C@H]2OC(=O)[C@@](O)([C@@H]1OC(C)=O)[C@]1(C)CC[C@H]3C(=O)O[C@H](C[C@@]3(C)[C@H]21)c1ccoc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H28O10/c1-11(25)31-17-16-18-22(3)9-15(13-6-8-30-10-13)33-20(27)14(22)5-7-23(18,4)24(29,21(28)34-16)19(17)32-12(2)26/h6,8,10,14-19,29H,5,7,9H2,1-4H3/t14-,15+,16+,17+,18-,19+,22+,23+,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OIRSVEFCDASWKD-LAVCFGSTSA-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