General Information of the Compound
| Compound ID |
CP0407992
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,6S,6aR,9R,11bS)-6-hydroxy-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-4-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H28O4
|
||||||||||||||||||
| Molecular Weight |
332.44
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]12CCC[C@](C)(C1C[C@H](O)[C@@]13C[C@@H](CCC21)C(=C)C3=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H28O4/c1-11-12-5-6-13-18(2)7-4-8-19(3,17(23)24)14(18)9-15(21)20(13,10-12)16(11)22/h12-15,21H,1,4-10H2,2-3H3,(H,23,24)/t12-,13?,14?,15+,18+,19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VVTDDOIRDLEBIN-XYOZUXSBSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8