Bioactive Compound Details

BioIDbio1662
NameSARGACHROMANOL C
ChEMBL IDCHEMBL465201
Molecular FormulaC27H40O3
Molecular Weight412.61
Molecular Weight (Monoisotopic)412.2977
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsSargachromanol C
SmilesCC(C)=CC[C@@H](O)/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)cc(C)c2O1
InchiInChI=1S/C27H40O3/c1-19(2)12-13-25(29)21(4)11-7-9-20(3)10-8-15-27(6)16-14-23-18-24(28)17-22(5)26(23)30-27/h10-12,17-18,25,28-29H,7-9,13-16H2,1-6H3/b20-10+,21-11+/t25-,27-/m1/s1
Inchi KeyRFIIOYJLKCYOCK-PUMPRSRSSA-N
Molecular SpeciesNEUTRAL
Targets14.0
Bioactivities15.0
Np Likeness Score2.81
Records Key['3', '3', '15']
Records Name['Sargachromanol C', 'Sargachromanol C', 'sargachromanol C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure