General Information of the Compound
| Compound ID |
CP0489813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,4R,4aS,6S,6aR,9R,11aS,11bS)-4-(methoxycarbonyl)-4,11b-dimethyl-8-methylene-7-oxotetradecahydro-6a,9-methanocyclohepta[a]naphthalene-1,6-diyl diacetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H34O7
|
||||||||||||||||||
| Molecular Weight |
446.54
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@]1(C)CC[C@H](OC(C)=O)[C@@]2(C)[C@@H]3CC[C@@H]4C[C@@]3([C@H](C[C@H]12)OC(C)=O)C(=O)C4=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34O7/c1-13-16-7-8-17-24(5)18(11-20(32-15(3)27)25(17,12-16)21(13)28)23(4,22(29)30-6)10-9-19(24)31-14(2)26/h16-20H,1,7-12H2,2-6H3/t16-,17+,18-,19+,20+,23-,24+,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODLTXJICYGCFNC-GQPSJSHJSA-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