Bioactive Compound Details

BioIDbio1563
NamePASAKBUMIN C
ChEMBL IDCHEMBL1171670
Molecular FormulaC20H26O9
Molecular Weight410.42
Molecular Weight (Monoisotopic)410.1577
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPasakbumin C
SmilesCC1=CC(=O)[C@@H](O)[C@]2(C)[C@H]3[C@]4(O)OC[C@@]35[C@@H](C[C@@H]12)OC(=O)[C@H](O)[C@@]5(O)[C@H](C)[C@H]4O
InchiInChI=1S/C20H26O9/c1-7-4-10(21)13(23)17(3)9(7)5-11-18-6-28-20(27,16(17)18)12(22)8(2)19(18,26)14(24)15(25)29-11/h4,8-9,11-14,16,22-24,26-27H,5-6H2,1-3H3/t8-,9+,11-,12-,13-,14+,16-,17-,18-,19+,20-/m1/s1
Inchi KeyPKICXNXDFYYYGH-RDOOIUNWSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities7.0
Np Likeness Score3.95
Records Key['151', '6']
Records Name['Pasakbumin C', '13beta-methyl,21-dihydroeurycomanone']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure