General Information of the Compound
| Compound ID |
CP0514201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,2R,4S,7S,8S,10R,11R,12S,13S,15R,17S,19R)-10,13,15-triacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H44O12
|
||||||||||||||||||
| Molecular Weight |
644.714
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](OC(=O)[C@H]3O[C@@]23[C@]2(C)[C@@H](C[C@H]3C(C)(C)[C@@H](C[C@H](OC(C)=O)[C@]3(C)[C@@H]12)OC(C)=O)OC(C)=O)c1ccoc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H44O12/c1-16(35)41-21-14-31(7)27(20-10-11-40-15-20)45-29(39)28-34(31,46-28)33(9)25(44-19(4)38)12-22-30(5,6)23(42-17(2)36)13-24(43-18(3)37)32(22,8)26(21)33/h10-11,15,21-28H,12-14H2,1-9H3/t21-,22+,23-,24+,25-,26-,27+,28-,31+,32-,33-,34-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPPVTVIFAKGTDU-SZEXXHSXSA-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: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3