Bioactive Compound Details

BioIDbio195
NameARTHRININ C
ChEMBL IDCHEMBL1814148
Molecular FormulaC18H20O4
Molecular Weight300.35
Molecular Weight (Monoisotopic)300.1362
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsArthrinin C
SmilesCc1cc(O)c2c(c1)[C@H](O)[C@H]1OC(=O)[C@]3(C)CC[C@@H]4C[C@@]24[C@H]13
InchiInChI=1S/C18H20O4/c1-8-5-10-12(11(19)6-8)18-7-9(18)3-4-17(2)15(18)14(13(10)20)22-16(17)21/h5-6,9,13-15,19-20H,3-4,7H2,1-2H3/t9-,13+,14-,15-,17-,18+/m1/s1
Inchi KeyVZCXUHPOIGXDPZ-MYCDKFDCSA-N
Molecular SpeciesNEUTRAL
Targets3.0
Bioactivities4.0
Np Likeness Score2.63
Records Key['3']
Records Name['Arthrinin C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure