Bioactive Compound Details

BioIDbio282
NameCHISONIMBOLININ C
ChEMBL IDCHEMBL1077083
Molecular FormulaC37H50O10
Molecular Weight654.8
Molecular Weight (Monoisotopic)654.3404
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsChisonimbolinin C
SmilesC/C=C(\C)C(=O)O[C@@H]1[C@@H]2OC[C@]3(C)[C@H](OC(=O)/C(C)=C/C)C[C@H](O)[C@@](C)([C@@H]23)[C@H]2C[C@H](OC)O[C@H]3C[C@@H](C4=CCOC4=O)C(C)=C3[C@]12C
InchiInChI=1S/C37H50O10/c1-10-18(3)32(39)46-26-16-25(38)36(7)24-15-27(42-9)45-23-14-22(21-12-13-43-34(21)41)20(5)28(23)37(24,8)31(47-33(40)19(4)11-2)29-30(36)35(26,6)17-44-29/h10-12,22-27,29-31,38H,13-17H2,1-9H3/b18-10+,19-11+/t22-,23+,24-,25+,26-,27-,29-,30+,31-,35-,36+,37-/m1/s1
Inchi KeyATHAOAUSYYMCKB-RKAYDHGHSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score3.4
Records Key['3']
Records Name['Chisonimbolinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure