General Information of the Compound
| Compound ID |
CP0404201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(3S,4E)-4-[2-[(1S,2S,4aS,5R,6R,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethylspiro[3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,2'-oxirane]-1-yl]ethylidene]-5-oxooxolan-3-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H32O7
|
||||||||||||||||||
| Molecular Weight |
408.491
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@@H]1COC(=O)\C1=C\C[C@@H]1[C@]2(CO2)CC[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H32O7/c1-13(24)29-15-10-27-19(26)14(15)4-5-17-20(2)8-7-18(25)21(3,11-23)16(20)6-9-22(17)12-28-22/h4,15-18,23,25H,5-12H2,1-3H3/b14-4+/t15-,16+,17+,18-,20-,21+,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NAURXZFHWXEHHU-WNSJHVJWSA-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: PT01503, Signal transducer and activator of transcription 3