Bioactive Compound Details

BioIDbio1500
NameBOLETININ C
ChEMBL IDCHEMBL470054
Molecular FormulaC20H34O3
Molecular Weight322.49
Molecular Weight (Monoisotopic)322.2508
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBoletinin C
SmilesC=C(CC/C=C(\C)CO)C(O)CC/C(C)=C/CC/C(C)=C/CO
InchiInChI=1S/C20H34O3/c1-16(7-5-8-17(2)13-14-21)11-12-20(23)19(4)10-6-9-18(3)15-22/h7,9,13,20-23H,4-6,8,10-12,14-15H2,1-3H3/b16-7+,17-13+,18-9+
Inchi KeySLESHBGGKCSEJE-DVKPPUIYSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities6.0
Np Likeness Score2.62
Records Key['5']
Records Name['Boletinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure