Bioactive Compound Details

BioIDbio1436
NameDOLABELIDE C
ChEMBL IDCHEMBL503826
Molecular FormulaC43H72O13
Molecular Weight797.04
Molecular Weight (Monoisotopic)796.4973
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDolabelide C
SmilesCCC[C@H](C/C(C)=C/[C@H]1OC(=O)[C@@H](C)[C@@H](O)[C@H](C)CC[C@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@H](OC(C)=O)CC/C(C)=C/CCC[C@@H](O)C[C@H](O)[C@@H]1C)OC(C)=O
InchiInChI=1S/C43H72O13/c1-11-14-36(52-31(7)44)21-27(3)22-41-29(5)40(49)23-35(48)16-13-12-15-26(2)17-19-37(53-32(8)45)24-39(55-34(10)47)25-38(54-33(9)46)20-18-28(4)42(50)30(6)43(51)56-41/h15,22,28-30,35-42,48-50H,11-14,16-21,23-25H2,1-10H3/b26-15+,27-22+/t28-,29+,30+,35-,36-,37+,38+,39+,40+,41-,42+/m1/s1
Inchi KeyYSRKJBBLDLGINZ-YRKRXSSCSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score1.91
Records Key['3']
Records Name['dolabelide C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure