General Information of the Compound
| Compound ID |
CP0470993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-cinnamoylhernandine
Show/Hide
|
||||||||||||||||||
| Synonyms |
6-cinnamoylhernandine
CHEMBL1097804
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31NO8
|
||||||||||||||||||
| Molecular Weight |
521.566
|
||||||||||||||||||
| Canonical SMILES |
CO[C@H]1[C@H](C[C@]23CC(=O)N(C)[C@@]22C[C@H](O[C@]12OC)c1ccc(OC)c(O)c31)OC(=O)\C=C\c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31NO8/c1-30-22(31)16-27-14-21(37-23(32)13-10-17-8-6-5-7-9-17)26(35-3)29(36-4)28(27,30)15-20(38-29)18-11-12-19(34-2)25(33)24(18)27/h5-13,20-21,26,33H,14-16H2,1-4H3/b13-10+/t20-,21-,26-,27+,28-,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOKWRSAOHLOSAI-HXHZFJGXSA-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
Clinical Information about the Compound