General Information of the Compound
| Compound ID |
CP0477860
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,5S,7R,13R,20R)-5-hydroxy-10,11,13,14,15-pentamethoxy-7,20-diphenyl-2,8,21-trioxapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-3,9,11,14,17-pentaen-16-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H34O10
|
||||||||||||||||||
| Molecular Weight |
614.647
|
||||||||||||||||||
| Canonical SMILES |
COC1=C(OC)[C@]2(OC)c3c(O[C@@]22O[C@H](CC=C2C1=O)c1ccccc1)c1[C@@H](O)C[C@@H](Oc1c(OC)c3OC)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H34O10/c1-38-30-26-28(25-22(36)18-24(20-14-10-7-11-15-20)43-29(25)32(30)40-3)45-35-21(16-17-23(44-35)19-12-8-6-9-13-19)27(37)31(39-2)33(41-4)34(26,35)42-5/h6-16,22-24,36H,17-18H2,1-5H3/t22-,23+,24+,34+,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CAPJLGPKGOVWIU-YIYLECCTSA-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2