Bioactive Compound Details

BioIDbio1229
NameANASTOMOSACETAL C
ChEMBL IDCHEMBL466991
Molecular FormulaC27H42O4
Molecular Weight430.63
Molecular Weight (Monoisotopic)430.3083
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsAnastomosacetal C
SmilesCC(C)[C@H]1CC[C@H]([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)[C@H](O)O1
InchiInChI=1S/C27H42O4/c1-16(2)23-8-7-22(24(29)31-23)27(30)14-11-21-19-6-5-17-15-18(28)9-12-25(17,3)20(19)10-13-26(21,27)4/h15-16,19-24,29-30H,5-14H2,1-4H3/t19-,20+,21+,22+,23-,24-,25+,26+,27+/m1/s1
Inchi KeyRKSNYXVKBHRWAW-DLDPTGDWSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score2.5
Records Key['3']
Records Name['Anastomosacetal C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure