Bioactive Compound Details

BioIDbio519
NameMARLIGNAN C
ChEMBL IDCHEMBL1095516
Molecular FormulaC21H26O6
Molecular Weight374.43
Molecular Weight (Monoisotopic)374.1729
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMarlignan C
SmilesCOc1cc2c(c(O)c1O)-c1c(cc(OC)c(OC)c1O)C[C@@H](C)[C@@H](C)C2
InchiInChI=1S/C21H26O6/c1-10-6-12-8-14(25-3)18(22)19(23)16(12)17-13(7-11(10)2)9-15(26-4)21(27-5)20(17)24/h8-11,22-24H,6-7H2,1-5H3/t10-,11+/m0/s1
Inchi KeyBUDWOCFLSWUDFT-WDEREUQCSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities3.0
Np Likeness Score1.32
Records Key['3']
Records Name['Marlignan C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure