Bioactive Compound Details

BioIDbio619
NameTRIANGULYNE C
ChEMBL IDCHEMBL513489
Molecular FormulaC31H44O3
Molecular Weight464.69
Molecular Weight (Monoisotopic)464.329
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsTriangulyne C
SmilesC#C[C@H](O)/C=C/CCCCCCCC/C=C\CCCCCCCC[C@H](O)C#CC#CC#CCO
InchiInChI=1S/C31H44O3/c1-2-30(33)26-22-18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-19-23-27-31(34)28-24-20-17-21-25-29-32/h1,4,6,22,26,30-34H,3,5,7-16,18-19,23,27,29H2/b6-4-,26-22+/t30-,31-/m0/s1
Inchi KeyRYOORYDDTFATPC-XOERQBCYSA-N
Molecular SpeciesNEUTRAL
Targets16.0
Bioactivities16.0
Np Likeness Score1.98
Records Key['3']
Records Name['triangulyne C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure