Bioactive Compound Details

BioIDbio1150
NameGERANIN C
ChEMBL IDCHEMBL2262630
Molecular FormulaC30H24O12
Molecular Weight576.51
Molecular Weight (Monoisotopic)576.1268
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesOc1ccc([C@]23Oc4cc(O)cc(O)c4[C@H](c4c(cc(O)c5c4O[C@H](c4cc(O)c(O)c(O)c4)[C@@H](O)C5)O2)[C@H]3O)cc1
InchiInChI=1S/C30H24O12/c31-13-3-1-12(2-4-13)30-29(39)25(23-17(34)7-14(32)8-21(23)41-30)24-22(42-30)10-16(33)15-9-20(37)27(40-28(15)24)11-5-18(35)26(38)19(36)6-11/h1-8,10,20,25,27,29,31-39H,9H2/t20-,25+,27+,29+,30-/m0/s1
Inchi KeyDWIOQBZYELAYFO-AMEQXESTSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score2.17
Records Key['70']
Records Name['Geranin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure