Bioactive Compound Details

BioIDbio1304
NameSONGARICALARIN C
ChEMBL IDCHEMBL2334363
Molecular FormulaC31H45ClO9
Molecular Weight597.15
Molecular Weight (Monoisotopic)596.2752
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSongaricalarin C
SmilesC/C=C1/C(=O)[C@@H](OC(=O)C(C)CC)[C@@H]2[C@@H]1[C@H]([C@@]1(C)CO1)[C@@H](OC(=O)C(C)CC)[C@@H](OC(=O)/C=C(\C)CC)[C@]2(O)CCl
InchiInChI=1S/C31H45ClO9/c1-9-16(5)13-20(33)39-27-26(41-29(36)18(7)11-3)22(30(8)15-38-30)21-19(12-4)24(34)25(23(21)31(27,37)14-32)40-28(35)17(6)10-2/h12-13,17-18,21-23,25-27,37H,9-11,14-15H2,1-8H3/b16-13+,19-12+/t17?,18?,21-,22-,23-,25-,26+,27+,30+,31-/m0/s1
Inchi KeyIUPCAKPGHKSLTM-IDZHRBHZSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities4.0
Np Likeness Score2.48
Records Key['3']
Records Name['Songaricalarin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure