Bioactive Compound Details

BioIDbio49
NameLEMNALOSIDE C
ChEMBL IDCHEMBL226145
Molecular FormulaC28H46O9
Molecular Weight526.67
Molecular Weight (Monoisotopic)526.3142
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLemnaloside C
SmilesC=C(C)C(CC[C@@H](C)[C@@H]1CC[C@](C)(O[C@@H]2O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]2O)[C@H]2CCC(C)=C[C@@H]12)OO
InchiInChI=1S/C28H46O9/c1-15(2)22(37-33)10-8-17(4)19-11-12-28(6,21-9-7-16(3)13-20(19)21)36-27-26(32)25(31)24(30)23(35-27)14-34-18(5)29/h13,17,19-27,30-33H,1,7-12,14H2,2-6H3/t17-,19+,20+,21+,22?,23-,24+,25+,26-,27+,28+/m1/s1
Inchi KeyHEORXRPTBCZNRT-AYWOGHRSSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score3.02
Records Key['3']
Records Name['lemnaloside C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure