General Information of the Compound
| Compound ID |
CP0968346
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((5aS,6S,8S,9aS,10S)-6-acetoxy-10-hydroxy-5a-methyl-1-oxo-3-(pyridin-3-yl)-1,5a,6,7,8,9,9a,10-octahydropyrano[4,3-b]chromen-8-yl)propane-1,2-diyl diacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31NO10
|
||||||||||||||||||
| Molecular Weight |
529.542
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)OC[C@@](C)(OC(C)=O)[C@@H]1C[C@H](OC(C)=O)[C@@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@@H](O)[C@@H]2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31NO10/c1-14(29)34-13-26(4,37-16(3)31)18-9-19-24(32)23-21(38-27(19,5)22(10-18)35-15(2)30)11-20(36-25(23)33)17-7-6-8-28-12-17/h6-8,11-12,18-19,22,24,32H,9-10,13H2,1-5H3/t18-,19-,22-,24-,26+,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIGGKHQHUNJNPM-XOOMGTBGSA-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