General Information of the Compound
| Compound ID |
CP0397381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1R,2R,3S,3aR,8bS)-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26O7
|
||||||||||||||||||
| Molecular Weight |
462.498
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(O[C@]2([C@@H]1c1ccccc1)c1ccc(OC)cc1)cccc3OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26O7/c1-31-18-14-12-17(13-15-18)27-22(16-8-5-4-6-9-16)21(25(29)33-3)24(28)26(27,30)23-19(32-2)10-7-11-20(23)34-27/h4-15,21-22,24,28,30H,1-3H3/t21-,22-,24-,26+,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OEFBLIYTUODOPK-PXIJUOARSA-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