General Information of the Compound
| Compound ID |
CP0498541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Aceticacid(R)-1-((4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--benzyl-1-hydroxy-2,4a,11b-trimethyl-1,2,3,4,4a,4b,5,6,9,11a,11b,12,13,13a-tetradecahydro-8-oxa-cyclohepta[a]phenanthren-6a-yl)-ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H50O10
|
||||||||||||||||||
| Molecular Weight |
666.808
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(Cc4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H50O10/c1-22-19-31(46-25(4)40)36(8)30(38(22,43)20-28-13-10-9-11-14-28)16-17-35(7)29-15-12-18-44-21-37(29,23(2)45-24(3)39)34(48-27(6)42)32(33(35)36)47-26(5)41/h9-15,19,23,29-34,43H,16-18,20-21H2,1-8H3/t23-,29?,30?,31-,32+,33?,34+,35+,36-,37-,38?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QCIQCMIFMQETJM-PELYDUGJSA-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