Bioactive Compound Details

BioIDbio1447
NameBORAPETOSIDE C
ChEMBL IDCHEMBL1097581
Molecular FormulaC27H36O11
Molecular Weight536.57
Molecular Weight (Monoisotopic)536.2258
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBorapetoside C
SmilesCOC(=O)C1=CCC[C@H]2[C@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3C[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C
InchiInChI=1S/C27H36O11/c1-26-10-16(13-7-8-35-12-13)36-24(33)15(26)9-19(27(2)14(23(32)34-3)5-4-6-18(26)27)38-25-22(31)21(30)20(29)17(11-28)37-25/h5,7-8,12,15-22,25,28-31H,4,6,9-11H2,1-3H3/t15-,16-,17+,18-,19+,20+,21-,22+,25-,26+,27-/m0/s1
Inchi KeyRBPCODNTTHTSFN-ZDMQDBCMSA-N
Molecular SpeciesNEUTRAL
Targets5.0
Bioactivities29.0
Np Likeness Score3.03
Records Key['11', '6']
Records Name['borapetoside C', 'Borapetoside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure