General Information of the Compound
| Compound ID |
CP0279537
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-4,5,6,7-tetrahydro-benzofuran-2-yl]-acrylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32O3
|
||||||||||||||||||
| Molecular Weight |
392.539
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32O3/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-19(16)18-7-6-8-23-20(18)14-17(29-23)9-10-24(27)28/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOYHUMXQADXBLL-MDZDMXLPSA-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