General Information of the Compound
| Compound ID |
CP0419128
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-oxochromen-7-yl)oxyethyl (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C40H46O7
|
||||||||||||||||||
| Molecular Weight |
638.801
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@](C)(CC[C@]3(C)CC[C@]12C)C(=O)OCCOc1ccc2ccc(=O)oc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H46O7/c1-24-27-10-11-31-38(4,28(27)22-29(41)34(24)43)16-18-40(6)32-23-37(3,14-13-36(32,2)15-17-39(31,40)5)35(44)46-20-19-45-26-9-7-25-8-12-33(42)47-30(25)21-26/h7-12,21-22,32,43H,13-20,23H2,1-6H3/t32-,36-,37-,38+,39-,40+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNQIBWIFPFJYDN-YXZQVLARSA-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 | |||||||||||||||||||
| 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