General Information of the Compound
| Compound ID |
CP0571213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(11R,12R,13R,14S)-4-methoxy-13,15,15-trimethyl-12-(3,4,5-trimethoxyphenyl)-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2(7),3,5-tetraen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H31NO6
|
||||||||||||||||||
| Molecular Weight |
465.546
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]c(=O)c3[C@@H]4[C@@H]([C@@H](C)[C@@H]4C(C)(C)Oc3c2c1)c1cc(OC)c(OC)c(OC)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H31NO6/c1-13-20(14-10-18(31-5)25(33-7)19(11-14)32-6)21-22-24(34-27(2,3)23(13)21)16-12-15(30-4)8-9-17(16)28-26(22)29/h8-13,20-21,23H,1-7H3,(H,28,29)/t13-,20+,21+,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMGBSYVMZHZWQA-CPCQVOLOSA-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