General Information of the Compound
| Compound ID |
CP0476026
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Aceticacid(R)-1-[(4R,4aR,5S,6R,6aR,11bS)-4,5,6-triacetoxy--hydroxy-2,4a,11b-trimethyl-1-(4-methyl-pent-3-enyl)-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 |
C37H54O10
|
||||||||||||||||||
| Molecular Weight |
658.829
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3C(O)(CCC=C(C)C)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/C37H54O10/c1-21(2)13-11-16-37(42)22(3)19-30(45-25(6)39)35(10)29(37)15-17-34(9)28-14-12-18-43-20-36(28,23(4)44-24(5)38)33(47-27(8)41)31(32(34)35)46-26(7)40/h12-14,19,23,28-33,42H,11,15-18,20H2,1-10H3/t23-,28?,29?,30-,31+,32?,33+,34+,35-,36-,37?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PPVWTCZAWKPBGB-IBONRXEOSA-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