Bioactive Compound Details

BioIDbio250
NamePREUSSOMERIN C
ChEMBL IDCHEMBL487724
Molecular FormulaC21H16O8
Molecular Weight396.35
Molecular Weight (Monoisotopic)396.0845
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPreussomerin C
SmilesCO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](O3)(O2)[C@@H]1O[C@@H]1[C@@H]4O
InchiInChI=1S/C21H16O8/c1-25-13-7-10(23)8-3-2-4-11-15(8)20(13)27-12-6-5-9(22)14-16(12)21(28-11,29-20)19-18(26-19)17(14)24/h2-6,13,17-19,22,24H,7H2,1H3/t13-,17-,18-,19-,20-,21+/m1/s1
Inchi KeyDIBXCWWZBPEJSW-MFGAOICXSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities20.0
Np Likeness Score2.56
Records Key['6', '9', '9']
Records Name['preussomerin C', 'Preussomerin C', 'Preussomerin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure