Bioactive Compound Details

BioIDbio867
NameASTEROLAURIN C
ChEMBL IDCHEMBL1088451
Molecular FormulaC26H36O9
Molecular Weight492.57
Molecular Weight (Monoisotopic)492.2359
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAsterolaurin C
SmilesC=C1C[C@@H](O)[C@@H](O)C(=C)CC[C@@H]2C([C@@H](OC(C)=O)[C@H](C=C(C)C)OC(C)=O)=CO[C@H](OC(C)=O)[C@@H]12
InchiInChI=1S/C26H36O9/c1-13(2)10-22(33-16(5)27)25(34-17(6)28)20-12-32-26(35-18(7)29)23-15(4)11-21(30)24(31)14(3)8-9-19(20)23/h10,12,19,21-26,30-31H,3-4,8-9,11H2,1-2,5-7H3/t19-,21-,22+,23+,24+,25-,26-/m1/s1
Inchi KeyKBKLBYIJUCULTB-UMPBZRBBSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities3.0
Np Likeness Score2.87
Records Key['3']
Records Name['Asterolaurin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure