Bioactive Compound Details

BioIDbio257
NameMERULIN C
ChEMBL IDCHEMBL2018291
Molecular FormulaC15H22O5
Molecular Weight282.34
Molecular Weight (Monoisotopic)282.1467
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMerulin C
SmilesCC1(C)C=CC(=O)[C@@]2(C)OO[C@@H]3C[C@]12CCC3(O)CO
InchiInChI=1S/C15H22O5/c1-12(2)5-4-10(17)13(3)15(12)7-6-14(18,9-16)11(8-15)19-20-13/h4-5,11,16,18H,6-9H2,1-3H3/t11-,13-,14?,15-/m1/s1
Inchi KeyNELFNNHUMIOVCO-KREAIGTHSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities15.0
Np Likeness Score3.7
Records Key['3']
Records Name['Merulin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure