General Information of the Compound
| Compound ID |
CP0293402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,5S)-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-ethyl-3-methylideneoxolan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H48O5
|
||||||||||||||||||
| Molecular Weight |
512.731
|
||||||||||||||||||
| 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@H](CCCO)[C@H](O)C2=C)OC(=O)C1=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H48O5/c1-6-24-21(4)31(36)37-29(24)17-19(2)26-13-14-27-22(9-7-15-32(26,27)5)11-12-23-18-28(34)25(10-8-16-33)30(35)20(23)3/h11-12,19,24-30,33-35H,3-4,6-10,13-18H2,1-2,5H3/b22-11+,23-12-/t19-,24-,25+,26-,27+,28-,29+,30-,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JYMQCRCBGRCJIH-OUUJFSOESA-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