GINSENOSIDE RD

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII WB232T95AV

Structure

InChI Key RLDVZILFNVRJTL-IWFVLDDISA-N
Smiles CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
InChI
InChI=1S/C48H82O18/c1-22(2)10-9-14-48(8,66-42-39(60)36(57)33(54)26(20-50)62-42)23-11-16-47(7)31(23)24(52)18-29-45(5)15-13-30(44(3,4)28(45)12-17-46(29,47)6)64-43-40(37(58)34(55)27(21-51)63-43)65-41-38(59)35(56)32(53)25(19-49)61-41/h10,23-43,49-60H,9,11-21H2,1-8H3/t23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,45-,46+,47+,48-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C48H82O18
Molecular Weight 947.17
AlogP -0.03
Hydrogen Bond Acceptor 18.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 13.0
Polar Surface Area 298.14
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 66.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Kinase Protein Kinase CAMK protein kinase group CAMK protein kinase CAMK1 family CAMK protein kinase AMPK subfamily
16.8 - - - -
Enzyme Kinase Protein kinase regulatory subunit
16.8 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
16.8 - - - -3.54-2.88
Mus musculus
- - - - 17.5-97

Cross References

Resources Reference
ChEBI 67988
ChEMBL CHEMBL473659
FDA SRS WB232T95AV
PubChem 11679800
SureChEMBL SCHEMBL669260
ZINC ZINC000253387933
CONTENTS