General Information of the Compound
| Compound ID |
CP0202494
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(10S,12Z,14S,15R,16R)-14-amino-6,15,16-trihydroxy-4-methoxy-10-methyl-9-oxatricyclo[15.3.1.02,7]henicosa-1(21),2(7),3,5,12,17,19-heptaen-8-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NO6
|
||||||||||||||||||
| Molecular Weight |
399.443
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(O)c2c(c1)-c1cccc(c1)[C@@H](O)[C@H](O)[C@@H](N)\C=C/C[C@H](C)OC2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NO6/c1-12-5-3-8-17(23)21(26)20(25)14-7-4-6-13(9-14)16-10-15(28-2)11-18(24)19(16)22(27)29-12/h3-4,6-12,17,20-21,24-26H,5,23H2,1-2H3/b8-3-/t12-,17-,20+,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OREQLGSRSGABHU-OPEBIDFYSA-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
Protein ID: PT01204, Receptor-type tyrosine-protein kinase FLT3
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Protein ID: PT00925, Vascular endothelial growth factor receptor 3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000077 | Ba/F3 | Mus musculus (Mouse) | 1 |
| 1 |
GI50 > 25000 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|