General Information of the Compound
| Compound ID |
CP0514483
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR,9S,11S,12aS,12bS)-9-hydroxy-11-methyl-1,2,3,5,6,6a,8,9,10,11,12a,12b-dodecahydrochromeno[2,3-g]indolizin-12-one
Show/Hide
|
||||||||||||||||||
| Synonyms |
BDBM50269339
CHEMBL509995
Grandisine C
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H23NO3
|
||||||||||||||||||
| Molecular Weight |
277.364
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H](O)CC2=C1C(=O)[C@H]1[C@@H]3CCCN3CC[C@H]1O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12+,15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WNDBXOYUMYCREE-NAYUARGSSA-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