General Information of the Compound
| Compound ID |
CP0722225
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S,3S)-2-butyl-5-(2-((1R,3aS,7aR)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyl-2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)vinyl)-4-methylcyclohex-4-ene-1,3-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H52O3
|
||||||||||||||||||
| Molecular Weight |
472.754
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H]1[C@H](O)CC(/C=C\C2=CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)=C(C)[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H52O3/c1-7-8-13-25-28(32)20-24(22(3)29(25)33)15-14-23-12-10-19-31(6)26(16-17-27(23)31)21(2)11-9-18-30(4,5)34/h12,14-15,21,25-29,32-34H,7-11,13,16-20H2,1-6H3/b15-14-/t21-,25+,26-,27-,28-,29-,31-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJVSIPKVLHNTOB-WIPUGECPSA-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