Bioactive Compound Details

BioIDbio363
NameMAHUREONE C
ChEMBL IDCHEMBL519545
Molecular FormulaC34H44O6
Molecular Weight548.72
Molecular Weight (Monoisotopic)548.3138
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsMahureone C
SmilesCC(C)=CCC1CC2(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C(O)OC2=C(C(CC(=O)O)c2ccccc2)C1(C)C
InchiInChI=1S/C34H44O6/c1-20(2)14-15-24-19-34(17-16-21(3)4)30(38)27(29(37)22(5)6)32(39)40-31(34)28(33(24,7)8)25(18-26(35)36)23-12-10-9-11-13-23/h9-14,16,22,24-25,39H,15,17-19H2,1-8H3,(H,35,36)
Inchi KeyBZQMKTCQZSTGQS-UHFFFAOYSA-N
Molecular SpeciesACID
Targets1.0
Bioactivities1.0
Np Likeness Score2.2
Records Key['4']
Records Name['Mahureone C']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure