General Information of the Compound
| Compound ID |
CP0800498
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
15,18,18-trimethyl-(1S,5S)-2,4-dioxatetracyclo[12.3.1.01,5.06,11]octadeca-6(11),7,9,14-tetraene-3,12-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20O4
|
||||||||||||||||||
| Molecular Weight |
312.365
|
||||||||||||||||||
| Canonical SMILES |
CC1=C2CC(=O)c3ccccc3[C@@H]3OC(=O)O[C@@]3(CC1)C2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20O4/c1-11-8-9-19-16(22-17(21)23-19)13-7-5-4-6-12(13)15(20)10-14(11)18(19,2)3/h4-7,16H,8-10H2,1-3H3/t16-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZGWWNNGKRPVKP-QFBILLFUSA-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