Bioactive Compound Details

BioIDbio37
NameDYSOXYLUMIC ACID C
ChEMBL IDCHEMBL2269406
Molecular FormulaC31H40O12
Molecular Weight604.65
Molecular Weight (Monoisotopic)604.252
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsNone
SmilesC=C1[C@@H]2[C@@H](O[C@@H](CC(=O)O)[C@@]2(C)[C@H]2CC(=O)O[C@]2(C)CO)[C@H](OC(=O)C(O)C(C)C)[C@@]2(C)[C@H](c3ccoc3)[C@@H](O)[C@H]3O[C@]132
InchiInChI=1S/C31H40O12/c1-13(2)22(36)27(38)41-26-24-20(14(3)31-25(43-31)23(37)21(30(26,31)6)15-7-8-39-11-15)29(5,17(40-24)10-18(33)34)16-9-19(35)42-28(16,4)12-32/h7-8,11,13,16-17,20-26,32,36-37H,3,9-10,12H2,1-2,4-6H3,(H,33,34)/t16-,17-,20+,21+,22?,23+,24+,25+,26-,28+,29+,30+,31+/m0/s1
Inchi KeySVDVIGFCUFHHRT-WMHHJCHISA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.54
Records Key['3']
Records Name['Dysoxylumic acid C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure