General Information of the Compound
| Compound ID |
CP0557139
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S,3S,5R,8R,11R,12S,15S,16R)-5-(furan-3-yl)-12,15,16-trihydroxy-3,11-dimethyl-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadecane-7,13-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24O8
|
||||||||||||||||||
| Molecular Weight |
392.404
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H](O)[C@@H]2O)c1ccoc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24O8/c1-18-7-11(9-4-6-26-8-9)27-16(23)10(18)3-5-19(2)14(18)13-12(21)15(22)20(19,25)17(24)28-13/h4,6,8,10-15,21-22,25H,3,5,7H2,1-2H3/t10-,11+,12+,13+,14-,15+,18+,19+,20-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADJURXYYBZJFNA-RZYRLLJHSA-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