Bioactive Compound Details

BioIDbio570
NamePETROSIOL C
ChEMBL IDCHEMBL2349063
Molecular FormulaC31H48O4
Molecular Weight484.72
Molecular Weight (Monoisotopic)484.3553
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsPetrosiol C
SmilesC#C/C=C\CCCCCCCCCC/C=C\CCCCCCC[C@H](O)[C@@H](O)[C@H](O)C#CC#CCO
InchiInChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26-29(33)31(35)30(34)27-24-22-25-28-32/h1,3-4,15-16,29-35H,5-14,17-21,23,26,28H2/b4-3-,16-15-/t29-,30+,31+/m0/s1
Inchi KeyJGOAHEYAROHLQK-XQEXHZJDSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities2.0
Np Likeness Score1.86
Records Key['3']
Records Name['petrosiol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure