Bioactive Compound Details

BioIDbio1866
NameLANATOSIDE C
ChEMBL IDCHEMBL506569
Molecular FormulaC49H76O20
Molecular Weight985.13
Molecular Weight (Monoisotopic)984.493
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsALLOCOR|CEDILANID|CELADIGAL|CETOSANOL|DIGILANOGEN C|ISOLANID|ISOLANIDE|LANATIGEN C|LANATOSIDE C|LANATOSIDE C JP 17|LANATOSIDO C|LANIMERCK|NSC-119991|NSC-7533
SmilesCC(=O)O[C@H]1C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)O[C@@H]3C)O[C@@H]2C)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InchiInChI=1S/C49H76O20/c1-21-43(67-38-17-32(53)44(22(2)62-38)68-39-18-33(64-24(4)51)45(23(3)63-39)69-46-42(58)41(57)40(56)34(19-50)66-46)31(52)16-37(61-21)65-27-9-11-47(5)26(14-27)7-8-29-30(47)15-35(54)48(6)28(10-12-49(29,48)59)25-13-36(55)60-20-25/h13,21-23,26-35,37-46,50,52-54,56-59H,7-12,14-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29-,30+,31+,32+,33+,34-,35-,37+,38+,39+,40-,41+,42-,43-,44-,45-,46+,47+,48+,49+/m1/s1
Inchi KeyJAYAGJDXJIDEKI-PTGWOZRBSA-N
Molecular SpeciesNEUTRAL
Targets111.0
Bioactivities161.0
Np Likeness Score2.34
Records Key['SID144204914', 'Lanatoside C', 'SID29217895', 'lanatoside C', 'LANATOSIDE C', 'Lanatoside C', 'SID124893230', 'SID73378', 'Lanatoside C', 'LANATOSIDE C', 'LANATOSIDE C', 'Lanotoside C', 'LANATOSIDE C', 'SID93576708', 'LANATOSIDE C', 'Lanatoside C', 'Lanatoside C', 'LANATOSIDE C', 'LANATOSIDE C', 'LANATOSIDE C', '126', 'lanatoside C', 'BA1000080']
Records Name['SID144204914', 'Lanatoside C', 'SID29217895', 'lanatoside C', 'LANATOSIDE C', 'Lanatoside C', 'SID124893230', 'SID73378', 'Lanatoside C', 'LANATOSIDE C', 'LANATOSIDE C', 'Lanotoside C', 'LANATOSIDE C', 'SID93576708', 'LANATOSIDE C', 'Lanatoside C', 'Lanatoside C', 'LANATOSIDE C', 'LANATOSIDE C', 'LANATOSIDE C', 'Lanatoside C', 'lanatoside C', 'LANATOSIDE C']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure