General Information of the Compound
| Compound ID |
CP0324113
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4S,5R)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,4S,5R)-3,5-dihydroxy-4-(3-hydroxypropyl)-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-butyl-3-methylideneoxolan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H52O5
|
||||||||||||||||||
| Molecular Weight |
540.785
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@@H]1[C@@H](C[C@@H](C)[C@H]2CC[C@H]3\C(CCC[C@]23C)=C\C=C2\C[C@@H](O)[C@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H52O5/c1-6-7-11-26-23(4)33(38)39-31(26)19-21(2)28-15-16-29-24(10-8-17-34(28,29)5)13-14-25-20-30(36)27(12-9-18-35)32(37)22(25)3/h13-14,21,26-32,35-37H,3-4,6-12,15-20H2,1-2,5H3/b24-13+,25-14-/t21-,26+,27+,28-,29+,30-,31-,32-,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SDLPSDNXKBENPS-COSMQERESA-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