Bioactive Compound Details

BioIDbio1219
NameMULBERROFURAN C
ChEMBL IDCHEMBL378806
Molecular FormulaC34H28O9
Molecular Weight580.59
Molecular Weight (Monoisotopic)580.1733
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMulberrofuran C
SmilesCC1=C[C@@H](c2c(O)cc(-c3cc4ccc(O)cc4o3)cc2O)[C@@H](C(=O)c2ccc(O)cc2O)[C@H](c2ccc(O)cc2O)C1
InchiInChI=1S/C34H28O9/c1-16-8-24(22-6-4-19(35)13-26(22)38)32(34(42)23-7-5-20(36)14-27(23)39)25(9-16)33-28(40)10-18(11-29(33)41)30-12-17-2-3-21(37)15-31(17)43-30/h2-7,9-15,24-25,32,35-41H,8H2,1H3/t24-,25+,32-/m0/s1
Inchi KeyWTGKDESIYCVAOP-UNTHUGQZSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities6.0
Np Likeness Score1.39
Records Key['3', 'Mulberrofuran C']
Records Name['Mulberrofuran C', 'Mulberrofuran C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure