Bioactive Compound Details

BioIDbio530
NameLUCIALDEHYDE C
ChEMBL IDCHEMBL470979
Molecular FormulaC31H48O3
Molecular Weight468.72
Molecular Weight (Monoisotopic)468.3603
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsLucialdehyde C
SmilesC=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)C1CC3=O)C(C)C=O
InchiInChI=1S/C31H48O3/c1-19(21(3)18-32)9-10-20(2)22-11-16-31(8)27-23(12-15-30(22,31)7)29(6)14-13-26(34)28(4,5)25(29)17-24(27)33/h18,20-22,25-26,34H,1,9-17H2,2-8H3/t20-,21?,22-,25?,26+,29-,30-,31+/m1/s1
Inchi KeyZLINFWYHFGTJCG-WVKDCGJFSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities8.0
Np Likeness Score3.32
Records Key['78', '37']
Records Name['Lucialdehyde C', 'lucialdehyde C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure