Bioactive Compound Details

BioIDbio447
NameSCUTALPIN C
ChEMBL IDCHEMBL452745
Molecular FormulaC27H38O8
Molecular Weight490.59
Molecular Weight (Monoisotopic)490.2567
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsScutalpin C
SmilesC/C=C(\C)C(=O)O[C@H]1C[C@H](C)[C@](C)([C@@H](O)CC2=CC(=O)OC2)[C@H]2CCC[C@]3(CO3)[C@]12COC(C)=O
InchiInChI=1S/C27H38O8/c1-6-16(2)24(31)35-22-10-17(3)25(5,21(29)11-19-12-23(30)32-13-19)20-8-7-9-26(14-34-26)27(20,22)15-33-18(4)28/h6,12,17,20-22,29H,7-11,13-15H2,1-5H3/b16-6+/t17-,20+,21-,22-,25-,26-,27-/m0/s1
Inchi KeyCZWKDZJKHHPTTA-HZIUBCMGSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.36
Records Key['3']
Records Name['Scutalpin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure