General Information of the Compound
| Compound ID |
CP0397738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,3R,4R,5S,6R)-2-[3-[(1-ethylazulen-2-yl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28O5
|
||||||||||||||||||
| Molecular Weight |
408.494
|
||||||||||||||||||
| Canonical SMILES |
CCc1c(Cc2cccc(c2)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2cccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28O5/c1-2-19-18(13-16-8-4-3-5-10-20(16)19)12-15-7-6-9-17(11-15)25-24(29)23(28)22(27)21(14-26)30-25/h3-11,13,21-29H,2,12,14H2,1H3/t21-,22-,23+,24-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KMALYFQQEFZAGV-RXFVIIJJSA-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