Bioactive Compound Details

BioIDbio436
NameSHIKONOFURAN C
ChEMBL IDCHEMBL1946217
Molecular FormulaC21H26O5
Molecular Weight358.43
Molecular Weight (Monoisotopic)358.178
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsShikonofuran C
SmilesCC(C)=CCC(OC(=O)CC(C)C)c1coc(-c2cc(O)ccc2O)c1
InchiInChI=1S/C21H26O5/c1-13(2)5-8-19(26-21(24)9-14(3)4)15-10-20(25-12-15)17-11-16(22)6-7-18(17)23/h5-7,10-12,14,19,22-23H,8-9H2,1-4H3
Inchi KeyRQSVDMLEQSPRMK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities11.0
Np Likeness Score1.84
Records Key['9']
Records Name['Shikonofuran C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure