General Information of the Compound
| Compound ID |
CP0542730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1R,2R,6R,10S,11R,13S,15R,17R)-13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H40O10
|
||||||||||||||||||
| Molecular Weight |
644.717
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1O)C(O)C(=O)OCC1=C[C@H]2[C@H]3O[C@]4(Cc5ccccc5)O[C@]3(C[C@@H](C)[C@]2(O4)[C@@H]2C=C(C)C(=O)[C@@]2(O)C1)C(C)=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H40O10/c1-20(2)35-16-22(4)37-26(32(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)14-24(17-34(42)29(37)13-21(3)31(34)40)19-44-33(41)30(39)25-11-12-27(38)28(15-25)43-5/h6-15,22,26,29-30,32,38-39,42H,1,16-19H2,2-5H3/t22-,26+,29-,30?,32-,34-,35-,36-,37-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYAGDDFIYOTPHP-WZJCMBASSA-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