General Information of the Compound
| Compound ID |
CP0347851
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,5S)-5-[(2R)-2-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-4-ethyl-3-methylideneoxolan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H42O4
|
||||||||||||||||||
| Molecular Weight |
454.651
|
||||||||||||||||||
| Canonical SMILES |
CC[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[C@H](O)C2=C)OC(=O)C1=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H42O4/c1-6-23-19(4)28(32)33-27(23)14-17(2)24-11-12-25-20(8-7-13-29(24,25)5)9-10-21-15-22(30)16-26(31)18(21)3/h9-10,17,22-27,30-31H,3-4,6-8,11-16H2,1-2,5H3/b20-9+,21-10-/t17-,22-,23-,24-,25+,26+,27+,29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QWXOVSHMPIHALD-UKJXPEKTSA-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