Bioactive Compound Details

BioIDbio276
NameDRUMMONDIN C
ChEMBL IDCHEMBL484443
Molecular FormulaC24H26O8
Molecular Weight442.46
Molecular Weight (Monoisotopic)442.1628
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDrummondin C
SmilesCC(=O)C1=C(O)C(C)(C)C(O)=C(Cc2c(O)c3c(c(C(C)=O)c2O)OC(C)(C)C=C3)C1=O
InchiInChI=1S/C24H26O8/c1-10(25)15-18(28)13(17(27)12-7-8-23(3,4)32-20(12)15)9-14-19(29)16(11(2)26)22(31)24(5,6)21(14)30/h7-8,27-28,30-31H,9H2,1-6H3
Inchi KeyCBIZWUUGEINUSE-UHFFFAOYSA-N
Molecular SpeciesACID
Targets8.0
Bioactivities12.0
Np Likeness Score2.49
Records Key['3', '4']
Records Name['drummondin C', 'Drummondin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure